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(2S*,3S*,4S*,5R*)-3-Hydroxy-4-(phenylthio)tricyclo-[4.2.1.0(2,5)]non-7-ene
SpectraBase Compound ID 8Jk3kx8z6nh
InChI InChI=1S/C15H16OS/c16-14-12-9-6-7-10(8-9)13(12)15(14)17-11-4-2-1-3-5-11/h1-7,9-10,12-16H,8H2/t9?,10?,12-,13+,14-,15-/m0/s1
InChIKey IFLNBXZLTMYCRV-HOMPDQPXSA-N
Mol Weight 244.35 g/mol
Molecular Formula C15H16OS
Exact Mass 244.092186 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID XLfCC4twZ9
Name (2S*,3S*,4S*,5R*)-3-Hydroxy-4-(phenylthio)tricyclo-[4.2.1.0(2,5)]non-7-ene
CAS Registry Number 67700-03-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16OS
InChI InChI=1S/C15H16OS/c16-14-12-9-6-7-10(8-9)13(12)15(14)17-11-4-2-1-3-5-11/h1-7,9-10,12-16H,8H2/t9?,10?,12-,13+,14-,15-/m0/s1
InChIKey IFLNBXZLTMYCRV-HOMPDQPXSA-N
Molecular Weight 244.352 g/mol
SMILES O[C@@]1([C@]([C@]2([C@@]1(C1CC2C=C1)[H])[H])(Sc1ccccc1)[H])[H]
SPLASH splash10-00kr-9800000000-c445d33904d218119370
Source of Spectrum J-43-4562-0
Synonyms (2S,3S,4S,5R)-4-(phenylsulfanyl)tricyclo[4.2.1.0(2,5)]non-7-en-3-ol
Wiley ID 1247247