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cis-8a-(Benzyloxycarbonyl)-5,8-dimethyl-1-oxo-2-(p-toluenesullfonyl)-1,2,3,4,4a,5,6,8a-octahydroisoquinoline
SpectraBase Compound ID 4rW2cvkY2kv
InChI InChI=1S/C26H29NO5S/c1-18-9-13-22(14-10-18)33(30,31)27-16-15-23-19(2)11-12-20(3)26(23,24(27)28)25(29)32-17-21-7-5-4-6-8-21/h4-14,19-20,23H,15-17H2,1-3H3/t19?,20?,23-,26-/m0/s1
InChIKey JKIITMYWSLAOTR-JJYSHLDKSA-N
Mol Weight 467.58 g/mol
Molecular Formula C26H29NO5S
Exact Mass 467.176644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1uZS783oLRw
Name cis-8a-(Benzyloxycarbonyl)-5,8-dimethyl-1-oxo-2-(p-toluenesullfonyl)-1,2,3,4,4a,5,6,8a-octahydroisoquinoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H29NO5S
InChI InChI=1S/C26H29NO5S/c1-18-9-13-22(14-10-18)33(30,31)27-16-15-23-19(2)11-12-20(3)26(23,24(27)28)25(29)32-17-21-7-5-4-6-8-21/h4-14,19-20,23H,15-17H2,1-3H3/t19?,20?,23-,26-/m0/s1
InChIKey JKIITMYWSLAOTR-JJYSHLDKSA-N
Molecular Weight 467.580 g/mol
SMILES c1(S(N2C([C@]3(C(OCc4ccccc4)=O)C(C=CC([C@@]3(CC2)[H])C)C)=O)(=O)=O)ccc(cc1)C
SPLASH splash10-000x-9324000000-95a75125f65eef4aadce
Source of Spectrum F-56-4038-29
Synonyms cis-8a-(Benzyloxycarbonyl)-5,8-dimethyl-1-oxo-2-(p-toluenesullfonyl)-1,2,3,4,4a,5,8,8a-octahydroisoquinoline
Wiley ID 857272