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3a,7-Methano-3aH-cyclopentacycloocten-3(2H)-one, octahydro-1,7-dimethyl-2-(phenylthio)-, (1.alpha.,3a.beta.,7.beta.,9a.alpha.)-(.+-.)-

View entire compound with spectra: 1 MS (GC)

3a,7-Methano-3aH-cyclopentacycloocten-3(2H)-one, octahydro-1,7-dimethyl-2-(phenylthio)-, (1.alpha.,3a.beta.,7.beta.,9a.alpha.)-(.+-.)-
SpectraBase Compound ID ExCnas0VlSN
InChI InChI=1S/C20H26OS/c1-14-16-9-12-19(2)10-6-11-20(16,13-19)18(21)17(14)22-15-7-4-3-5-8-15/h3-5,7-8,14,16-17H,6,9-13H2,1-2H3/t14-,16-,17?,19+,20+/m1/s1
InChIKey KELAXNGVWUGQTD-WESWURIOSA-N
Mol Weight 314.49 g/mol
Molecular Formula C20H26OS
Exact Mass 314.170437 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4eCWZj3ZWNI
Name 3a,7-Methano-3aH-cyclopentacycloocten-3(2H)-one, octahydro-1,7-dimethyl-2-(phenylthio)-, (1.alpha.,3a.beta.,7.beta.,9a.alpha.)-(.+-.)-
Alternate Name(s) (1RS,4RS,5RS,8SR)-4,8-dimethyl-3-phenylthiotricyclo[6.3.1.0(1,5)]dodecan-2-one (1S,4R,5R,8S)-4,8-dimethyl-3-(phenylsulfanyl)tricyclo[6.3.1.0(1,5)]dodecan-2-one
CAS Registry Number 94609-10-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26OS
InChI InChI=1S/C20H26OS/c1-14-16-9-12-19(2)10-6-11-20(16,13-19)18(21)17(14)22-15-7-4-3-5-8-15/h3-5,7-8,14,16-17H,6,9-13H2,1-2H3/t14-,16-,17?,19+,20+/m1/s1
InChIKey KELAXNGVWUGQTD-WESWURIOSA-N
Molecular Weight 314.487 g/mol
SMILES [C@@]123C(C(Sc4ccccc4)[C@@]([C@]1(CC[C@](C2)(C)CCC3)[H])(C)[H])=O
SPLASH splash10-11ou-9714000000-75a908ffedcd637c7afd
Source of Spectrum H-67-1969-0
Wiley ID 1315387