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endo-cis-2,5-Dimethyl-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-cis-2,5-Dimethyl-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 1YfvjqCaISu
InChI InChI=1S/C23H24N2O3S/c1-13-8-18-21(23(28)24(2)22(18)27)19-12-25-14(10-17(13)19)9-16(11-20(25)26)29-15-6-4-3-5-7-15/h3-7,11,14,18-19,21H,8-10,12H2,1-2H3/t14?,18-,19?,21-/m0/s1
InChIKey BUGSYPCKIHWNKT-VRMDDNNVSA-N
Mol Weight 408.52 g/mol
Molecular Formula C23H24N2O3S
Exact Mass 408.150764 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fk2tUb0gYhM
Name endo-cis-2,5-Dimethyl-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 C23H24N2O3S
InChI InChI=1S/C23H24N2O3S/c1-13-8-18-21(23(28)24(2)22(18)27)19-12-25-14(10-17(13)19)9-16(11-20(25)26)29-15-6-4-3-5-7-15/h3-7,11,14,18-19,21H,8-10,12H2,1-2H3/t14?,18-,19?,21-/m0/s1
InChIKey BUGSYPCKIHWNKT-VRMDDNNVSA-N
Molecular Weight 408.516 g/mol
SMILES C1(N(C([C@]2(CC(=C3C([C@@]12[H])CN1C(C3)CC(=CC1=O)Sc1ccccc1)C)[H])=O)C)=O
SPLASH splash10-0a4i-0000900000-aa92cc1525f6e7113507
Source of Spectrum F-67-4511-15b
Wiley ID 1686658