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(3aR.7aR)-N-(Phenylsulfonyl)-3-(but-3-en-1-ylidene)-2,3,3a,6,7,7a-hexahydro-1H-indole
SpectraBase Compound ID 54H4b80iu2S
InChI InChI=1S/C18H21NO2S/c1-2-3-9-15-14-19(18-13-8-7-12-17(15)18)22(20,21)16-10-5-4-6-11-16/h2,4-7,9-12,17-18H,1,3,8,13-14H2/b15-9+/t17-,18-/m1/s1
InChIKey MQSDPPSGDRTYOM-RAQZJCPISA-N
Mol Weight 315.43 g/mol
Molecular Formula C18H21NO2S
Exact Mass 315.1293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H91DARZlt5l
Name (3aR.7aR)-N-(Phenylsulfonyl)-3-(but-3-en-1-ylidene)-2,3,3a,6,7,7a-hexahydro-1H-indole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21NO2S
InChI InChI=1S/C18H21NO2S/c1-2-3-9-15-14-19(18-13-8-7-12-17(15)18)22(20,21)16-10-5-4-6-11-16/h2,4-7,9-12,17-18H,1,3,8,13-14H2/b15-9+/t17-,18-/m1/s1
InChIKey MQSDPPSGDRTYOM-RAQZJCPISA-N
Molecular Weight 315.431 g/mol
SMILES [C@@]12(N(S(=O)(=O)c3ccccc3)C\C([C@]1(C=CCC2)[H])=C\CC=C)[H]
SPLASH splash10-004i-9301000000-3dc75dd53010d43ac0c6
Source of Spectrum F-56-7538-42
Synonyms (3Z,3aR,7aR)-3-(3-butenylidene)-1-(phenylsulfonyl)-2,3,3a,6,7,7a-hexahydro-1H-indole N-(Phenylsulfonyl)-3-(but-3-en-1-ylidene)-2,3,3a,6,7,7a-hexahydro-1H-indole
Wiley ID 858520