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benzoic acid (2-methyl-2-nitro-propyl) ester
SpectraBase Compound ID KJUn0Ro1qSN
InChI InChI=1S/C11H13NO4/c1-11(2,12(14)15)8-16-10(13)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKey JBJLRMGVYRHLAF-UHFFFAOYSA-N
Mol Weight 223.23 g/mol
Molecular Formula C11H13NO4
Exact Mass 223.084458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AkCrF86C6Wo
Name benzoic acid (2-methyl-2-nitro-propyl) ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13NO4
InChI InChI=1S/C11H13NO4/c1-11(2,12(14)15)8-16-10(13)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKey JBJLRMGVYRHLAF-UHFFFAOYSA-N
Molecular Weight 223.228 g/mol
SMILES C(N(=O)=O)(COC(=O)c1ccccc1)(C)C
SPLASH splash10-0a4i-0900000000-024a5d6e0810de43455b
Source of Spectrum AT-38-7086-8
Synonyms benzoic acid (2-methyl-2-nitropropyl) ester (2-methyl-2-nitropropyl) benzoate
Wiley ID 854012