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4-(4-Methylbenzoyl)-3-[(2,2-di(methylthio)-1-methylethenyl]cyclopentene
SpectraBase Compound ID 1qsoD3Di6Fu
InChI InChI=1S/C18H22OS2/c1-12-8-10-14(11-9-12)17(19)16-7-5-6-15(16)13(2)18(20-3)21-4/h5-6,8-11,15-16H,7H2,1-4H3/t15-,16-/m0/s1
InChIKey LXDPHNYTRDWWHY-HOTGVXAUSA-N
Mol Weight 318.49 g/mol
Molecular Formula C18H22OS2
Exact Mass 318.111208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HyyDTgK3aDy
Name 4-(4-Methylbenzoyl)-3-[(2,2-di(methylthio)-1-methylethenyl]cyclopentene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22OS2
InChI InChI=1S/C18H22OS2/c1-12-8-10-14(11-9-12)17(19)16-7-5-6-15(16)13(2)18(20-3)21-4/h5-6,8-11,15-16H,7H2,1-4H3/t15-,16-/m0/s1
InChIKey LXDPHNYTRDWWHY-HOTGVXAUSA-N
Molecular Weight 318.493 g/mol
SMILES C([C@]1([C@@](C(c2ccc(cc2)C)=O)(CC=C1)[H])[H])(=C(SC)SC)C
SPLASH splash10-0fk9-0079000000-aba5e8918c472bf2827d
Source of Spectrum AT-37-3568-3
Wiley ID 853576