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1-Propanethiol, 3-[(1,2,3-trimethoxyphenanthro[2,3-d][1,3]dioxol-6-yl)thio]-
SpectraBase Compound ID 2y86fSIPuf7
InChI InChI=1S/C21H22O5S2/c1-22-17-7-12-8-18(28-6-4-5-27)13-9-15-16(26-11-25-15)10-14(13)19(12)21(24-3)20(17)23-2/h7-10,27H,4-6,11H2,1-3H3
InChIKey GOIBEJOSJJRXRD-UHFFFAOYSA-N
Mol Weight 418.52 g/mol
Molecular Formula C21H22O5S2
Exact Mass 418.090866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID NwUMpVrd8J
Name 1-Propanethiol, 3-[(1,2,3-trimethoxyphenanthro[2,3-d][1,3]dioxol-6-yl)thio]-
CAS Registry Number 81574-83-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O5S2
InChI InChI=1S/C21H22O5S2/c1-22-17-7-12-8-18(28-6-4-5-27)13-9-15-16(26-11-25-15)10-14(13)19(12)21(24-3)20(17)23-2/h7-10,27H,4-6,11H2,1-3H3
InChIKey GOIBEJOSJJRXRD-UHFFFAOYSA-N
Molecular Weight 418.522 g/mol
SMILES SCCCSc1c2c(c3c(c(OC)c(cc3c1)OC)OC)cc1c(OCO1)c2
SPLASH splash10-03di-0901200000-82f208bd553f15578d14
Source of Spectrum KC-1982-523-0
Synonyms 2,3,4-Trimethoxy-6,7-methylenedioxy-9-phenanthryl 3-mercaptopropyl sulphide 3-[(1,2,3-trimethoxyphenanthro[2,3-d][1,3]dioxol-6-yl)sulfanyl]-1-propanethiol 3-[(1,2,3-trimethoxyphenanthro[2,3-d][1,3]dioxol-6-yl)sulfanyl]propyl hydrosulfide Phenanthro[2,3-d][1,3]dioxole, 1-propanethiol deriv.
Wiley ID 1377090