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3-Cyclohexene-1-carboxylic acid, 6-(1,3-benzothiazol-2-yl)-, 2-oxo-2-phenylethyl ester
SpectraBase Compound ID CJQH9ecQjXp
InChI InChI=1S/C22H19NO3S/c24-19(15-8-2-1-3-9-15)14-26-22(25)17-11-5-4-10-16(17)21-23-18-12-6-7-13-20(18)27-21/h1-9,12-13,16-17H,10-11,14H2
InChIKey JVYMTPZWGWZDBA-UHFFFAOYSA-N
Mol Weight 377.46 g/mol
Molecular Formula C22H19NO3S
Exact Mass 377.108565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2sp2CjSlYwj
Name 3-Cyclohexene-1-carboxylic acid, 6-(1,3-benzothiazol-2-yl)-, 2-oxo-2-phenylethyl ester
Alternate Name(s) 6-(1,3-benzothiazol-2-yl)-1-cyclohex-3-enecarboxylic acid phenacyl ester phenacyl 6-(1,3-benzothiazol-2-yl)cyclohex-3-ene-1-carboxylate
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Formula C22H19NO3S
InChI InChI=1S/C22H19NO3S/c24-19(15-8-2-1-3-9-15)14-26-22(25)17-11-5-4-10-16(17)21-23-18-12-6-7-13-20(18)27-21/h1-9,12-13,16-17H,10-11,14H2
InChIKey JVYMTPZWGWZDBA-UHFFFAOYSA-N
Molecular Weight 377.458 g/mol
SMILES c1(nc2ccccc2s1)C1C(C(OCC(=O)c2ccccc2)=O)CC=CC1
SPLASH splash10-08i0-7951000000-d0efa0242d171b532f7f
Source of Spectrum IY-1-4532-5
Wiley ID 1653308