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(2S*,5R*)-3 Methoxy-4-(phenylthio)tricyclo[4.2.1.0(2,5)]non-7-ene
SpectraBase Compound ID gbvVSJW9YV
InChI InChI=1S/C16H18OS/c1-17-15-13-10-7-8-11(9-10)14(13)16(15)18-12-5-3-2-4-6-12/h2-8,10-11,13-16H,9H2,1H3/t10?,11?,13-,14+,15?,16?/m0/s1
InChIKey UQTSLUOOLYKFHQ-XOXYJFSVSA-N
Mol Weight 258.38 g/mol
Molecular Formula C16H18OS
Exact Mass 258.107836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3iVUDsqKSWq
Name (2S*,5R*)-3 Methoxy-4-(phenylthio)tricyclo[4.2.1.0(2,5)]non-7-ene
CAS Registry Number 67700-07-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18OS
InChI InChI=1S/C16H18OS/c1-17-15-13-10-7-8-11(9-10)14(13)16(15)18-12-5-3-2-4-6-12/h2-8,10-11,13-16H,9H2,1H3/t10?,11?,13-,14+,15?,16?/m0/s1
InChIKey UQTSLUOOLYKFHQ-XOXYJFSVSA-N
Molecular Weight 258.379 g/mol
SMILES [C@]12([C@@](C3CC2C=C3)([H])C(C1Sc1ccccc1)OC)[H]
SPLASH splash10-066s-9300000000-6ae04e5dbd53052add52
Source of Spectrum J-43-4562-0
Synonyms (2S,5R)-3-methoxy-4-(phenylsulfanyl)tricyclo[4.2.1.0(2,5)]non-7-ene Methyl (2S,5R)-4-(phenylsulfanyl)tricyclo[4.2.1.0(2,5)]non-7-en-3-yl ether
Wiley ID 1262003