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3(2H)-Benzothiazolepropanoic acid, 2-oxo-, cyclohexyl ester

View entire compound with spectra: 2 NMR, and 1 MS (GC)

3(2H)-Benzothiazolepropanoic acid, 2-oxo-, cyclohexyl ester
SpectraBase Compound ID 73qSTLFEHzt
InChI InChI=1S/C16H19NO3S/c18-15(20-12-6-2-1-3-7-12)10-11-17-13-8-4-5-9-14(13)21-16(17)19/h4-5,8-9,12H,1-3,6-7,10-11H2
InChIKey YCGXQAMZGANIMQ-UHFFFAOYSA-N
Mol Weight 305.39 g/mol
Molecular Formula C16H19NO3S
Exact Mass 305.108565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DbEOmlb0p7Q
Name 3(2H)-Benzothiazolepropanoic acid, 2-oxo-, cyclohexyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19NO3S
InChI InChI=1S/C16H19NO3S/c18-15(20-12-6-2-1-3-7-12)10-11-17-13-8-4-5-9-14(13)21-16(17)19/h4-5,8-9,12H,1-3,6-7,10-11H2
InChIKey YCGXQAMZGANIMQ-UHFFFAOYSA-N
Molecular Weight 305.392 g/mol
SMILES C1(N(c2ccccc2S1)CCC(OC1CCCCC1)=O)=O
SPLASH splash10-0pki-6910000000-ef1f7108b15e570d4812
Source of Spectrum IY-1-4289-3
Synonyms 3-(2-oxo-1,3-benzothiazol-3-yl)propanoic acid cyclohexyl ester cyclohexyl 3-(2-oxo-1,3-benzothiazol-3-yl)propanoate cyclohexyl 3-(2-oxidanylidene-1,3-benzothiazol-3-yl)propanoate
Wiley ID 1650884