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Benzoic acid, 4-[5,6-dihydro-1-[[4-(methoxycarbonyl)phenyl]methyl]py rrolo[2,1-a]isoquinolin-3-yl]-, methyl ester
SpectraBase Compound ID 8zEmI5sUBLq
InChI InChI=1S/C29H25NO4/c1-33-28(31)22-9-7-19(8-10-22)17-24-18-26(21-11-13-23(14-12-21)29(32)34-2)27-25-6-4-3-5-20(25)15-16-30(24)27/h3-14,18H,15-17H2,1-2H3
InChIKey DMHAXKHTNHVOAK-UHFFFAOYSA-N
Mol Weight 451.52 g/mol
Molecular Formula C29H25NO4
Exact Mass 451.178358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 56qwcIEp552
Name Benzoic acid, 4-[5,6-dihydro-1-[[4-(methoxycarbonyl)phenyl]methyl]py rrolo[2,1-a]isoquinolin-3-yl]-, methyl ester
CAS Registry Number 129137-74-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H25NO4
InChI InChI=1S/C29H25NO4/c1-33-28(31)22-9-7-19(8-10-22)17-24-18-26(21-11-13-23(14-12-21)29(32)34-2)27-25-6-4-3-5-20(25)15-16-30(24)27/h3-14,18H,15-17H2,1-2H3
InChIKey DMHAXKHTNHVOAK-UHFFFAOYSA-N
Molecular Weight 451.522 g/mol
SMILES c-12c(cc([n]2CCc2c1cccc2)Cc1ccc(C(=O)OC)cc1)-c1ccc(C(=O)OC)cc1
SPLASH splash10-0udi-0002900000-e5095b8324cbfdc8f78b
Source of Spectrum F-46-1609-30
Synonyms Pyrrolo[2,1-a]isoquinoline, benzoic acid deriv. 1-(4'-Methoxycarbonylphenyl)-3-(4'-methoxycarbonylbenzyl)-4,5-dihydropyrrolo[1,2-a]isoquinoline Methyl 4-{3-[4-(methoxycarbonyl)benzyl]-5,6-dihydropyrrolo[2,1-a]isoquinolin-1-yl}benzoate
Wiley ID 1388027