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o-(5-Methoxy-1,2,3,3A,8,8A-hexahydrocyclopenta[A]inden-2-yl) o-p-tolyl thionocarbonate
SpectraBase Compound ID CkfcR6FGSOE
InChI InChI=1S/C21H22O3S/c1-13-3-6-16(7-4-13)23-21(25)24-18-10-15-9-14-5-8-17(22-2)11-19(14)20(15)12-18/h3-8,11,15,18,20H,9-10,12H2,1-2H3
InChIKey KXVJKQYCOHCYBS-UHFFFAOYSA-N
Mol Weight 354.46 g/mol
Molecular Formula C21H22O3S
Exact Mass 354.128966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AbYd5rDYgjS
Name O-(5-Methoxy-1,2,3,3a,8,8a-hexahydrocyclopenta[a]inden-2-yl) O-p-Tolyl Thionocarbonate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O3S
InChI InChI=1S/C21H22O3S/c1-13-3-6-16(7-4-13)23-21(25)24-18-10-15-9-14-5-8-17(22-2)11-19(14)20(15)12-18/h3-8,11,15,18,20H,9-10,12H2,1-2H3
InChIKey KXVJKQYCOHCYBS-UHFFFAOYSA-N
Molecular Weight 354.464 g/mol
SMILES c12C3C(CC(C3)OC(=S)Oc3ccc(cc3)C)Cc2ccc(c1)OC
SPLASH splash10-052v-1922000000-dd7e70531984e71e5d25
Source of Spectrum J-59-1203-8
Synonyms O-(5-methoxy-1,2,3,3a,8,8a-hexahydrocyclopenta[a]inden-2-yl) O-(4-methylphenyl) thiocarbonate
Wiley ID 1344671