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3-(2-Carboxyethyl)-2-methylbenzoxazolium bromide

View entire compound with spectra: 2 MS (GC)

3-(2-Carboxyethyl)-2-methylbenzoxazolium bromide
SpectraBase Compound ID Fs0AMiZcrQY
InChI InChI=1S/C11H11NO3.BrH/c1-8-12(7-6-11(13)14)9-4-2-3-5-10(9)15-8;/h2-5H,6-7H2,1H3;1H
InChIKey QAAXLMKLZPOHMQ-UHFFFAOYSA-N
Mol Weight 286.12 g/mol
Molecular Formula C11H12BrNO3
Exact Mass 285.000056 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BcvrZCJBRsh
Name 3-(2-Carboxyethyl)-2-methylbenzoxazolium bromide
CAS Registry Number 68123-42-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12BrNO3
InChI InChI=1S/C11H11NO3.BrH/c1-8-12(7-6-11(13)14)9-4-2-3-5-10(9)15-8;/h2-5H,6-7H2,1H3;1H
InChIKey QAAXLMKLZPOHMQ-UHFFFAOYSA-N
Molecular Weight 286.125 g/mol
SMILES [Br-].OC(CC[n+]1c2ccccc2oc1C)=O
SPLASH splash10-001i-9400000000-d392cf69eb545f86f608
Synonyms 3-(2-Carboxyethyl)-2-methyl-1,3-benzoxazol-3-ium bromide 3-(2-Methyl-1,3-benzoxazol-3-ium-3-yl)propanoic acid bromide 3-(2-Methyl-1,3-benzoxazol-3-ium-3-yl)propanoic acid;bromide
Wiley ID 1468964