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7a-Phenyl-3-(thiophene-2-carbonyl)-1,4,5,6,7,7a-hexahydro-2H-indol-2-one

View entire compound with spectra: 1 MS (GC)

7a-Phenyl-3-(thiophene-2-carbonyl)-1,4,5,6,7,7a-hexahydro-2H-indol-2-one
SpectraBase Compound ID EpNUZJkV36g
InChI InChI=1S/C19H17NO2S/c21-17(15-10-6-12-23-15)16-14-9-4-5-11-19(14,20-18(16)22)13-7-2-1-3-8-13/h1-3,6-8,10,12H,4-5,9,11H2,(H,20,22)
InChIKey RBUSSMSIIABPIR-UHFFFAOYSA-N
Mol Weight 323.41 g/mol
Molecular Formula C19H17NO2S
Exact Mass 323.098 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EHVuj7hZZsb
Name 7a-Phenyl-3-(thiophene-2-carbonyl)-1,4,5,6,7,7a-hexahydro-2H-indol-2-one
Appearance White crystals
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 323.097999963 u
Formula C19H17NO2S
InChI InChI=1S/C19H17NO2S/c21-17(15-10-6-12-23-15)16-14-9-4-5-11-19(14,20-18(16)22)13-7-2-1-3-8-13/h1-3,6-8,10,12H,4-5,9,11H2,(H,20,22)
InChIKey RBUSSMSIIABPIR-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS QP2010SE
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.2c02935
Quality 123
Reported Formula C19H17NO2S
SMILES N1C(C(=C2C1(CCCC2)C1=CC=CC=C1)C(C=1SC=CC1)=O)=O
SPLASH splash10-03di-0976000000-a2b89772b66101b40530
Source of Spectrum JOC-88-3961-4am (DOI: 10.1021/acs.joc.2c02935)
Wiley ID 1912711