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2,5-Ethano-2H-azocino[4,3-b]indole-6-carboxylic acid, 4-ethylidene-1,3,4,5,6,7-hexahydro-6-(hydroxymethyl)-, methyl ester
SpectraBase Compound ID BBmBw8CrEQK
InChI InChI=1S/C20H24N2O3/c1-3-13-10-22-9-8-16(13)20(12-23,19(24)25-2)18-15(11-22)14-6-4-5-7-17(14)21-18/h3-7,16,21,23H,8-12H2,1-2H3/b13-3+/t16-,20?/m1/s1
InChIKey JZKSIYFJGCTTET-YPYMHHIVSA-N
Mol Weight 340.42 g/mol
Molecular Formula C20H24N2O3
Exact Mass 340.178693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CiHuIXq3dgR
Name 2,5-Ethano-2H-azocino[4,3-b]indole-6-carboxylic acid, 4-ethylidene-1,3,4,5,6,7-hexahydro-6-(hydroxymethyl)-, methyl ester
CAS Registry Number 56324-22-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24N2O3
InChI InChI=1S/C20H24N2O3/c1-3-13-10-22-9-8-16(13)20(12-23,19(24)25-2)18-15(11-22)14-6-4-5-7-17(14)21-18/h3-7,16,21,23H,8-12H2,1-2H3/b13-3+/t16-,20?/m1/s1
InChIKey JZKSIYFJGCTTET-YPYMHHIVSA-N
Molecular Weight 340.423 g/mol
SMILES OCC1([C@@]2(CCN(Cc3c1[nH]c1ccccc31)C\C2=C\C)[H])C(OC)=O
SPLASH splash10-052f-9844000000-0f9772ed7229005dc6e8
Source of Spectrum SD-1981-0-0
Wiley ID 1335281