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1-cyano-8-methyl-2-naphthoic acid
SpectraBase Compound ID 9XoV8kGHq54
InChI InChI=1S/C13H9NO2/c1-8-3-2-4-9-5-6-10(13(15)16)11(7-14)12(8)9/h2-6H,1H3,(H,15,16)
InChIKey TXOHTVRKCGSGMK-UHFFFAOYSA-N
Mol Weight 211.22 g/mol
Molecular Formula C13H9NO2
Exact Mass 211.063329 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lpai805IU4J
Name 1-cyano-8-methyl-2-naphthoic acid
CAS Registry Number 126536-42-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H9NO2
InChI InChI=1S/C13H9NO2/c1-8-3-2-4-9-5-6-10(13(15)16)11(7-14)12(8)9/h2-6H,1H3,(H,15,16)
InChIKey TXOHTVRKCGSGMK-UHFFFAOYSA-N
Molecular Weight 211.220 g/mol
SMILES OC(c1c(c2c(cccc2cc1)C)C#N)=O
SPLASH splash10-014i-3920000000-50f568c93e90ec8a7269
Source of Spectrum B-42-1443-0
Synonyms 1-Cyano-8-methylnaphthalene-2-carboxylic acid 1-cyano-8-methyl-2-naphthalenecarboxylic acid
Wiley ID 1210507