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1-(p-Tolylsulfanyl)-2-oxaspiro[4.5]dec-6-en-3-one isomer
SpectraBase Compound ID LUhqWcjb9iI
InChI InChI=1S/C16H18O2S/c1-12-5-7-13(8-6-12)19-15-16(11-14(17)18-15)9-3-2-4-10-16/h3,5-9,15H,2,4,10-11H2,1H3/t15?,16-/m0/s1
InChIKey CHMCPJOTLSKICD-LYKKTTPLSA-N
Mol Weight 274.38 g/mol
Molecular Formula C16H18O2S
Exact Mass 274.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ew6M3g0cUTQ
Name 1-(p-Tolylsulfanyl)-2-oxaspiro[4.5]dec-6-en-3-one isomer
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O2S
InChI InChI=1S/C16H18O2S/c1-12-5-7-13(8-6-12)19-15-16(11-14(17)18-15)9-3-2-4-10-16/h3,5-9,15H,2,4,10-11H2,1H3/t15?,16-/m0/s1
InChIKey CHMCPJOTLSKICD-LYKKTTPLSA-N
Molecular Weight 274.378 g/mol
SMILES C1(OC(=O)C[C@@]11C=CCCC1)Sc1ccc(cc1)C
SPLASH splash10-0ufr-7910000000-f43d3c4388951645b015
Source of Spectrum KD-16-672-13
Wiley ID 1637409