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Methyl 3,10,18,25-tetrathiapentacyclo[14.14.7.1(32,36).0(12,37).0(27,31)]octatriaconta-1(31),12(37),13,15,27,29,32(38),33,35-nonaene-38-carboxylate

View entire compound with spectra: 1 MS (GC)

Methyl 3,10,18,25-tetrathiapentacyclo[14.14.7.1(32,36).0(12,37).0(27,31)]octatriaconta-1(31),12(37),13,15,27,29,32(38),33,35-nonaene-38-carboxylate
SpectraBase Compound ID 4qfXv4QRW1y
InChI InChI=1S/C36H44O2S4/c1-38-36(37)35-31-17-12-18-32(35)34-28-14-11-16-30(34)26-42-22-9-5-4-8-21-41-25-29-15-10-13-27(33(29)31)23-39-19-6-2-3-7-20-40-24-28/h10-18H,2-9,19-26H2,1H3
InChIKey UOFFPAHJKDJQAG-UHFFFAOYSA-N
Mol Weight 637.0 g/mol
Molecular Formula C36H44O2S4
Exact Mass 636.222415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5BKHs8dPCjP
Name Methyl 3,10,18,25-tetrathiapentacyclo[14.14.7.1(32,36).0(12,37).0(27,31)]octatriaconta-1(31),12(37),13,15,27,29,32(38),33,35-nonaene-38-carboxylate
CAS Registry Number 139524-00-8
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H44O2S4
InChI InChI=1S/C36H44O2S4/c1-38-36(37)35-31-17-12-18-32(35)34-28-14-11-16-30(34)26-42-22-9-5-4-8-21-41-25-29-15-10-13-27(33(29)31)23-39-19-6-2-3-7-20-40-24-28/h10-18H,2-9,19-26H2,1H3
InChIKey UOFFPAHJKDJQAG-UHFFFAOYSA-N
Molecular Weight 636.986 g/mol
SMILES c1(c2-c3c4CSCCCCCCSCc5c(-c1ccc2)c(CSCCCCCCSCc3ccc4)ccc5)C(=O)OC
SPLASH splash10-0k9i-0000009000-8dfd8a8546d26bceba74
Source of Spectrum U-1992-483-4
Synonyms methyl 7,14,22,29-tetrathiapentacyclo[14.14.7.1(32,36).0(5,31).0(20,37)]octatriaconta-1(31),2,4,16(37),17,19,32(38),33,35-nonaene-38-carboxylate
Wiley ID 764173