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Methyl (1rs,3asr,4rs,7rs,7asr)-1,2,3,4,7,7A-hexahydro-4-[(1',3'-dithian-2'-yl)methyl)]-6,7-dimethyl-3-oxo-1-(phenylmethyl)-3ah-isoindole-3A-carboxylate

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

Methyl (1rs,3asr,4rs,7rs,7asr)-1,2,3,4,7,7A-hexahydro-4-[(1',3'-dithian-2'-yl)methyl)]-6,7-dimethyl-3-oxo-1-(phenylmethyl)-3ah-isoindole-3A-carboxylate
SpectraBase Compound ID DzWuqrN45gT
InChI InChI=1S/C24H31NO3S2/c1-15-12-18(14-20-29-10-7-11-30-20)24(23(27)28-3)21(16(15)2)19(25-22(24)26)13-17-8-5-4-6-9-17/h4-6,8-9,12,16,18-21H,7,10-11,13-14H2,1-3H3,(H,25,26)
InChIKey XVRHLRBCPNIMPO-UHFFFAOYSA-N
Mol Weight 445.64 g/mol
Molecular Formula C24H31NO3S2
Exact Mass 445.174536 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ELTekqNbh8
Name Methyl (1RS,3aSR,4RS,7RS,7aSR)-1,2,3,4,7,7a-hexahydro-4-[(1',3'-dithian-2'-yl)methyl)]-6,7-dimethyl-3-oxo-1-(phenylmethyl)-3aH-isoindole-3a-carboxylate
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Formula C24H31NO3S2
InChI InChI=1S/C24H31NO3S2/c1-15-12-18(14-20-29-10-7-11-30-20)24(23(27)28-3)21(16(15)2)19(25-22(24)26)13-17-8-5-4-6-9-17/h4-6,8-9,12,16,18-21H,7,10-11,13-14H2,1-3H3,(H,25,26)
InChIKey XVRHLRBCPNIMPO-UHFFFAOYSA-N
Molecular Weight 445.636 g/mol
SMILES N1C(C2C(C1=O)(C(C=C(C2C)C)CC1SCCCS1)C(=O)OC)Cc1ccccc1
SPLASH splash10-0fr6-4792100000-ad4e3a85427c76b7e1f0
Source of Spectrum H-76-2524-49
Synonyms Methyl 1-benzyl-4-(1,3-dithian-2-ylmethyl)-6,7-dimethyl-3-oxo-1,2,3,4,7,7a-hexahydro-3aH-isoindole-3a-carboxylate
Wiley ID 1386360