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1-(4-nitrophenyl)-3-bicyclo[1.1.1]pentanecarboxylic acid
SpectraBase Compound ID J0RB2I71mJF
InChI InChI=1S/C12H11NO4/c14-10(15)12-5-11(6-12,7-12)8-1-3-9(4-2-8)13(16)17/h1-4H,5-7H2,(H,14,15)
InChIKey SUUIDKBFVRORLW-UHFFFAOYSA-N
Mol Weight 233.22 g/mol
Molecular Formula C12H11NO4
Exact Mass 233.068808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4SkqXZWOJMI
Name 1-(4-nitrophenyl)-3-bicyclo[1.1.1]pentanecarboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11NO4
InChI InChI=1S/C12H11NO4/c14-10(15)12-5-11(6-12,7-12)8-1-3-9(4-2-8)13(16)17/h1-4H,5-7H2,(H,14,15)
InChIKey SUUIDKBFVRORLW-UHFFFAOYSA-N
Molecular Weight 233.223 g/mol
SMILES OC(C12CC(C2)(c2ccc(N(=O)=O)cc2)C1)=O
SPLASH splash10-0006-1900000000-4b6069c9699ebc29d8bb
Source of Spectrum J-59-2994-57
Synonyms 1-(4-nitrophenyl)bicyclo[1.1.1]pentane-3-carboxylic acid
Wiley ID 1234803