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endo-trans-5-Methyl-2-phenyl-8-(phenylthio)-3a,4,6a,7,12,12a-hexahydropyrido[1,2-b]pyrrolo[3,4-h]isoquinoline-1,3,10(2H,6H,12bH)-trione

View entire compound with spectra: 1 MS (GC)

endo-trans-5-Methyl-2-phenyl-8-(phenylthio)-3a,4,6a,7,12,12a-hexahydropyrido[1,2-b]pyrrolo[3,4-h]isoquinoline-1,3,10(2H,6H,12bH)-trione
SpectraBase Compound ID JBqwqAAObbb
InChI InChI=1S/C28H26N2O3S/c1-17-12-23-26(28(33)30(27(23)32)18-8-4-2-5-9-18)24-16-29-19(14-22(17)24)13-21(15-25(29)31)34-20-10-6-3-7-11-20/h2-11,15,19,23-24,26H,12-14,16H2,1H3/t19?,23-,24?,26+/m0/s1
InChIKey RHLDPMXLIKQUPW-BCUCHWCNSA-N
Mol Weight 470.59 g/mol
Molecular Formula C28H26N2O3S
Exact Mass 470.166414 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EHPipx78hAW
Name endo-trans-5-Methyl-2-phenyl-8-(phenylthio)-3a,4,6a,7,12,12a-hexahydropyrido[1,2-b]pyrrolo[3,4-h]isoquinoline-1,3,10(2H,6H,12bH)-trione
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H26N2O3S
InChI InChI=1S/C28H26N2O3S/c1-17-12-23-26(28(33)30(27(23)32)18-8-4-2-5-9-18)24-16-29-19(14-22(17)24)13-21(15-25(29)31)34-20-10-6-3-7-11-20/h2-11,15,19,23-24,26H,12-14,16H2,1H3/t19?,23-,24?,26+/m0/s1
InChIKey RHLDPMXLIKQUPW-BCUCHWCNSA-N
Molecular Weight 470.587 g/mol
SMILES C1(N(C([C@]2(CC(=C3C([C@]12[H])CN1C(C3)CC(=CC1=O)Sc1ccccc1)C)[H])=O)c1ccccc1)=O
SPLASH splash10-00di-0000900000-dfec406648dcb9f95dc3
Source of Spectrum F-67-4511-14a
Wiley ID 1686661