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1H-Indolizino[8,7-b]indole-1-propanoic acid, 1-ethyl-2,3,5,6,11,11b-hexahydro-3-oxo-, methyl ester, trans-(.+-.)-
SpectraBase Compound ID H3l3nd9uSzB
InChI InChI=1S/C20H24N2O3/c1-3-20(10-8-17(24)25-2)12-16(23)22-11-9-14-13-6-4-5-7-15(13)21-18(14)19(20)22/h4-7,19,21H,3,8-12H2,1-2H3/t19-,20-/m0/s1
InChIKey JVAHLIULJADHCM-PMACEKPBSA-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 D42gNWZH59y
Name 1H-Indolizino[8,7-b]indole-1-propanoic acid, 1-ethyl-2,3,5,6,11,11b-hexahydro-3-oxo-, methyl ester, trans-(.+-.)-
CAS Registry Number 78873-23-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24N2O3
InChI InChI=1S/C20H24N2O3/c1-3-20(10-8-17(24)25-2)12-16(23)22-11-9-14-13-6-4-5-7-15(13)21-18(14)19(20)22/h4-7,19,21H,3,8-12H2,1-2H3/t19-,20-/m0/s1
InChIKey JVAHLIULJADHCM-PMACEKPBSA-N
Molecular Weight 340.423 g/mol
SMILES [nH]1c2ccccc2c2c1[C@@]1(N(CC2)C(C[C@@]1(CCC(=O)OC)CC)=O)[H]
SPLASH splash10-00kf-0928000000-26a41a32a7bb6d60e480
Source of Spectrum K-114-1936-0
Synonyms Methyl 3-[(1S,11bR)-1-ethyl-3-oxo-2,3,5,6,11,11b-hexahydro-1H-indolizino[8,7-b]indol-1-yl]propanoate Methylester of 1.beta.-ethyl-2,3,5,6,11,11b.beta.-hexahydro-3-oxo-1H-indolizino[8,7-b]indol-1.alpha.-propanoic acid
Wiley ID 1335303