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2-Acetyl-4,5-dimethyl-3,6-dihydro-2H-thiopyran-2-carboxylic acid 2-phenyl-cyclohexyl ester
SpectraBase Compound ID GgnqoZHLSjD
InChI InChI=1S/C22H28O3S/c1-15-13-22(17(3)23,26-14-16(15)2)21(24)25-20-12-8-7-11-19(20)18-9-5-4-6-10-18/h4-6,9-10,19-20H,7-8,11-14H2,1-3H3/t19-,20+,22?/m0/s1
InChIKey YRNVVQDLAYISNG-RJKSWSIASA-N
Mol Weight 372.52 g/mol
Molecular Formula C22H28O3S
Exact Mass 372.175916 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5K8tya7ZrIH
Name 2-Acetyl-4,5-dimethyl-3,6-dihydro-2H-thiopyran-2-carboxylic acid 2-phenyl-cyclohexyl ester
Alternate Name(s) (1R,2S)-2-Acetyl-4,5-dimethyl-3,6-dihydro-2H-thiopyran-2-carboxylic acid 2-phenyl-cyclohexyl ester 2-Acetyl-2-[(2-phenylcyclohexyloxy)carbonyl]dihydrothiopyran 2-Phenylcyclohexyl 2-acetyl-4,5-dimethyl-3,6-dihydro-2H-thiopyran-2-carboxylate
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Formula C22H28O3S
InChI InChI=1S/C22H28O3S/c1-15-13-22(17(3)23,26-14-16(15)2)21(24)25-20-12-8-7-11-19(20)18-9-5-4-6-10-18/h4-6,9-10,19-20H,7-8,11-14H2,1-3H3/t19-,20+,22?/m0/s1
InChIKey YRNVVQDLAYISNG-RJKSWSIASA-N
Molecular Weight 372.523 g/mol
SMILES C1(C(O[C@]2([C@](c3ccccc3)(CCCC2)[H])[H])=O)(SCC(=C(C1)C)C)C(=O)C
SPLASH splash10-0a4l-7900000000-0597f5f75210b03dd7fd
Source of Spectrum F-53-17393-19
Wiley ID 805108