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.delta.3,.delta.5-2-Tryptophyl-4-carbethoxy-7-[1,1-(ethylenedioxy)-ethyl]hexahydroisoquinoline
SpectraBase Compound ID GMThNpp5Ovl
InChI InChI=1S/C26H32N2O4/c1-3-30-25(29)23-17-28(11-10-18-15-27-24-7-5-4-6-22(18)24)16-19-14-20(8-9-21(19)23)26(2)31-12-13-32-26/h4-9,15,17,19-21,27H,3,10-14,16H2,1-2H3
InChIKey XPFWKLOMZOUYOI-UHFFFAOYSA-N
Mol Weight 436.6 g/mol
Molecular Formula C26H32N2O4
Exact Mass 436.236208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HmgIAYKbeYJ
Name .delta.3,.delta.5-2-Tryptophyl-4-carbethoxy-7-[1,1-(ethylenedioxy)-ethyl]hexahydroisoquinoline
Alternate Name(s) Ethyl 2-[2-(1H-indol-3-yl)ethyl]-7-(2-methyl-1,3-dioxolan-2-yl)-1,2,4a,7,8,8a-hexahydro-4-isoquinolinecarboxylate
CAS Registry Number 87371-69-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H32N2O4
InChI InChI=1S/C26H32N2O4/c1-3-30-25(29)23-17-28(11-10-18-15-27-24-7-5-4-6-22(18)24)16-19-14-20(8-9-21(19)23)26(2)31-12-13-32-26/h4-9,15,17,19-21,27H,3,10-14,16H2,1-2H3
InChIKey XPFWKLOMZOUYOI-UHFFFAOYSA-N
Molecular Weight 436.552 g/mol
SMILES [nH]1c2c(c(c1)CCN1C=C(C3C(CC(C4(OCCO4)C)C=C3)C1)C(=O)OCC)cccc2
SPLASH splash10-000i-9304200000-8a3cf565448398122219
Source of Spectrum J-48-4265-0
Wiley ID 1383620