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(12R)-12-Methyl-10-methylene-3,3-bisphenylsulfanyloxacyclotridecan-2-one
SpectraBase Compound ID KJaM2K1uB8R
InChI InChI=1S/C26H32O2S2/c1-21-13-7-3-4-12-18-26(25(27)28-20-22(2)19-21,29-23-14-8-5-9-15-23)30-24-16-10-6-11-17-24/h5-6,8-11,14-17,22H,1,3-4,7,12-13,18-20H2,2H3/t22-/m1/s1
InChIKey CCWHCJIPBRJXOP-JOCHJYFZSA-N
Mol Weight 440.7 g/mol
Molecular Formula C26H32O2S2
Exact Mass 440.184373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C0ZFMUJ4H9S
Name (12R)-12-Methyl-10-methylene-3,3-bisphenylsulfanyloxacyclotridecan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H32O2S2
InChI InChI=1S/C26H32O2S2/c1-21-13-7-3-4-12-18-26(25(27)28-20-22(2)19-21,29-23-14-8-5-9-15-23)30-24-16-10-6-11-17-24/h5-6,8-11,14-17,22H,1,3-4,7,12-13,18-20H2,2H3/t22-/m1/s1
InChIKey CCWHCJIPBRJXOP-JOCHJYFZSA-N
Molecular Weight 440.660 g/mol
SMILES C1(C(OC[C@@](CC(=C)CCCCCC1)(C)[H])=O)(Sc1ccccc1)Sc1ccccc1
SPLASH splash10-0f89-0009000000-960581433a9d82f2a61b
Source of Spectrum F-56-4136-(R)-12
Wiley ID 857405