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4-Ethylthio-8-benzyloxy-7-di(ethylthio)methyl-3-oxabicyclo[3.3.0]octa-2-one
SpectraBase Compound ID KiIltMdjJRY
InChI InChI=1S/C21H30O3S3/c1-4-25-20-15-12-16(21(26-5-2)27-6-3)18(17(15)19(22)24-20)23-13-14-10-8-7-9-11-14/h7-11,15-18,20-21H,4-6,12-13H2,1-3H3/t15-,16+,17-,18?,20?/m0/s1
InChIKey ZZIJPSYSAWKBCA-UOODJLLFSA-N
Mol Weight 426.65 g/mol
Molecular Formula C21H30O3S3
Exact Mass 426.135708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IAw8PpZXuH7
Name 4-Ethylthio-8-benzyloxy-7-di(ethylthio)methyl-3-oxabicyclo[3.3.0]octa-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O3S3
InChI InChI=1S/C21H30O3S3/c1-4-25-20-15-12-16(21(26-5-2)27-6-3)18(17(15)19(22)24-20)23-13-14-10-8-7-9-11-14/h7-11,15-18,20-21H,4-6,12-13H2,1-3H3/t15-,16+,17-,18?,20?/m0/s1
InChIKey ZZIJPSYSAWKBCA-UOODJLLFSA-N
Molecular Weight 426.648 g/mol
SMILES [C@]12(C(OC([C@]2(C[C@](C1OCc1ccccc1)(C(SCC)SCC)[H])[H])SCC)=O)[H]
SPLASH splash10-0f6x-9411000000-cfdfce058c3a765e802f
Source of Spectrum E1-42-859-19
Wiley ID 1552562