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1,3-Methano-1H-indene, octahydro-2-(phenylthio)-, (1.alpha.,2.beta.,3.alpha.,3a.beta.,7a.beta.)-
SpectraBase Compound ID 6E4OfPBUEOt
InChI InChI=1S/C16H20S/c1-2-6-11(7-3-1)17-16-14-10-15(16)13-9-5-4-8-12(13)14/h1-3,6-7,12-16H,4-5,8-10H2/t12?,13?,14-,15+,16?
InChIKey MVKDSRPUZAAPQS-OZEOOWDWSA-N
Mol Weight 244.4 g/mol
Molecular Formula C16H20S
Exact Mass 244.128572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2EDIAT5MqCX
Name 1,3-Methano-1H-indene, octahydro-2-(phenylthio)-, (1.alpha.,2.beta.,3.alpha.,3a.beta.,7a.beta.)-
CAS Registry Number 70938-93-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20S
InChI InChI=1S/C16H20S/c1-2-6-11(7-3-1)17-16-14-10-15(16)13-9-5-4-8-12(13)14/h1-3,6-7,12-16H,4-5,8-10H2/t12?,13?,14-,15+,16?
InChIKey MVKDSRPUZAAPQS-OZEOOWDWSA-N
Molecular Weight 244.396 g/mol
SMILES c1ccc(cc1)SC1[C@@]2(C[C@]1(C1CCCCC21)[H])[H]
SPLASH splash10-002f-9510000000-8ffba64da4aeefe376e0
Source of Spectrum K-112-2020-0
Wiley ID 1247505