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3a(1H)-Pentalenecarboxylic acid, 3,3'-dithiobis[hexahydro-1-methyl-4-oxo-, dimethyl ester
SpectraBase Compound ID Bv28vwq2H55
InChI InChI=1S/C22H30O6S2/c1-11-9-17(21(19(25)27-3)13(11)5-7-15(21)23)29-30-18-10-12(2)14-6-8-16(24)22(14,18)20(26)28-4/h11-14,17-18H,5-10H2,1-4H3
InChIKey NMFZNOJBNZSQDB-UHFFFAOYSA-N
Mol Weight 454.6 g/mol
Molecular Formula C22H30O6S2
Exact Mass 454.148381 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6X59iOj0uCU
Name 3a(1H)-Pentalenecarboxylic acid, 3,3'-dithiobis[hexahydro-1-methyl-4-oxo-, dimethyl ester
CAS Registry Number 125212-06-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30O6S2
InChI InChI=1S/C22H30O6S2/c1-11-9-17(21(19(25)27-3)13(11)5-7-15(21)23)29-30-18-10-12(2)14-6-8-16(24)22(14,18)20(26)28-4/h11-14,17-18H,5-10H2,1-4H3
InChIKey NMFZNOJBNZSQDB-UHFFFAOYSA-N
Molecular Weight 454.596 g/mol
SMILES C12(C(SSC3C4(C(CCC4=O)C(C3)C)C(=O)OC)CC(C1CCC2=O)C)C(=O)OC
SPLASH splash10-02t9-0920000000-7fb7f71cdae282d1196b
Source of Spectrum B-42-1468-16
Synonyms 2,2-bis(1-methoxycarbonyl-4-methyl-8-oxobicyclo[3.3.0]octan-2-yl) disulfide Methyl 3-{[6a-(methoxycarbonyl)-3-methyl-6-oxooctahydro-1-pentalenyl]disulfanyl}-1-methyl-4-oxohexahydro-3a(1H)-pentalenecarboxylate
Wiley ID 1388705