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Benzenaminium, 4-carboxy-N,N,N-trimethyl-, hydroxide, inner salt
SpectraBase Compound ID KyLNYphoOw0
InChI InChI=1S/C10H13NO2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3
InChIKey XPULRSZBSCQUTI-UHFFFAOYSA-N
Mol Weight 179.22 g/mol
Molecular Formula C10H13NO2
Exact Mass 179.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0cP36ATyNx
Name Benzenaminium, 4-carboxy-N,N,N-trimethyl-, hydroxide, inner salt
CAS Registry Number 33046-28-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H13NO2
InChI InChI=1S/C10H13NO2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3
InChIKey XPULRSZBSCQUTI-UHFFFAOYSA-N
Molecular Weight 179.219 g/mol
SMILES C(c1ccc([N+](C)(C)C)cc1)([O-])=O
SPLASH splash10-004i-1900000000-c4dc5d2ab60d430c2370
Source of Spectrum O7-0-627-0
Synonyms p-Benzbetaine 4-(Trimethylammonio)benzoate
Wiley ID 1175202