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alpha-Naphthoic acid
SpectraBase Compound ID 9ZXKx6pYzWe
InChI InChI=1S/C11H8O2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,12,13)
InChIKey LNETULKMXZVUST-UHFFFAOYSA-N
Mol Weight 172.18 g/mol
Molecular Formula C11H8O2
Exact Mass 172.052429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4MJEtPhFYm
Name 1-Naphthoic acid
CAS Registry Number 86-55-5
Classification Chemical
Comments Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 172.052429496 u
Formula C11H8O2
InChI InChI=1S/C11H8O2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,12,13)
InChIKey LNETULKMXZVUST-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 172.183 g/mol
Nominal Mass 172 u
Quality 976
Retention Index 1896
SMILES OC(C=1C=2C(C=CC1)=CC=CC2)=O
SPLASH splash10-00fr-1900000000-c021c84c789f184441b4
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1-Carboxynaphthalene 1-Naphthalenecarboxylic acid Naphthoic acid alpha-Naphthoic acid Naphthalene-1-carboxylic acid
Technique GC/MS
Wiley ID DD2024_023567