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CAS Number: 920760-12-9
tert-butyl 3-methyl-2-nitrobenzoate

Structure

 tert-butyl 3-methyl-2-nitrobenzoate
Name: tert-butyl 3-methyl-2-nitrobenzoate
Synonyms:
General Information
Product Number: 920760129

CAS Registry Number 920760-12-9
Name:
Benzoic acid, 3-?methyl-?2-?nitro-?, 1,?1-?dimethylethyl ester
3-Methyl-2-nitrobenzoic acid tert-butyl ester

 

Chemical Formula: C12H15NO4
Exact Mass: 237.10
Molecular Weight: 237.25
m/z: 237.10 (100.0%), 238.10 (13.5%)

 

InChI:InChI=1S/C12H15NO4/c1-8-6-5-7-9(10(8)13(15)16)11(14)17-12(2,3)4/h5-7H,1-4H3

InChI Key:VQUQZWQVUBLSNV-UHFFFAOYSA-N

Canonical SMILES:CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OC(C)(C)C

Specification

98%
References

PCT Int. Appl. (2008), WO 2008123017 A1 20081016. 

PCT Int. Appl. (2008), WO 2008111300 A1 20080918. 
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