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(1.alpha.,2.alpha.,3.alpha.,4.beta.,5.beta.,7.beta.,7a.beta.)-2,3,3a,4,5,6,7,7a-octahydro-5-phenylthio-4,7-methano-1,2,3-metheno-1H-indene

View entire compound with spectra: 1 MS (GC)

(1.alpha.,2.alpha.,3.alpha.,4.beta.,5.beta.,7.beta.,7a.beta.)-2,3,3a,4,5,6,7,7a-octahydro-5-phenylthio-4,7-methano-1,2,3-metheno-1H-indene
SpectraBase Compound ID HVs73RC2J8E
InChI InChI=1S/C17H18S/c1-2-4-9(5-3-1)18-11-7-8-6-10(11)13-12(8)14-16-15(13)17(14)16/h1-5,8,10-17H,6-7H2/t8-,10+,11+,12+,13?,14-,15?,16?,17+/m0/s1
InChIKey MRZLKTITEGWFGG-QVIAPBGLSA-N
Mol Weight 254.39 g/mol
Molecular Formula C17H18S
Exact Mass 254.112922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KGu7jsZDRJm
Name (1.alpha.,2.alpha.,3.alpha.,4.beta.,5.beta.,7.beta.,7a.beta.)-2,3,3a,4,5,6,7,7a-octahydro-5-phenylthio-4,7-methano-1,2,3-metheno-1H-indene
CAS Registry Number 115408-25-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18S
InChI InChI=1S/C17H18S/c1-2-4-9(5-3-1)18-11-7-8-6-10(11)13-12(8)14-16-15(13)17(14)16/h1-5,8,10-17H,6-7H2/t8-,10+,11+,12+,13?,14-,15?,16?,17+/m0/s1
InChIKey MRZLKTITEGWFGG-QVIAPBGLSA-N
Molecular Weight 254.391 g/mol
SMILES [C@@]12(C3C2[C@@]2([C@]4(C[C@@](C2C13)([C@](Sc1ccccc1)(C4)[H])[H])[H])[H])[H]
SPLASH splash10-01di-9510000000-55ffc597c72d2157a410
Source of Spectrum K-121-1672-18
Synonyms (1S,2S,4R,5S,8S,9R)-9-(phenylsulfanyl)pentacyclo[6.2.1.0(2,7).0(3,5).0(4,6)]undecane (1S,2S,4R,5S,8S,9R)-pentacyclo[6.2.1.0(2,7).0(3,5).0(4,6)]undec-9-yl phenyl sulfide
Wiley ID 1258297