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3,6-Methano-3H-azecino[5,4-b]indole-8-carboxylic acid, 1,2,4,5,6,7,8,9-octahydro-5-(1-oxopropyl)-, methyl ester, (5R*,6S*,8S*)-(.+-.)-
SpectraBase Compound ID FbGG8IoElSz
InChI InChI=1S/C21H26N2O3/c1-3-19(24)17-12-23-9-8-15-14-6-4-5-7-18(14)22-20(15)16(21(25)26-2)10-13(17)11-23/h4-7,13,16-17,22H,3,8-12H2,1-2H3
InChIKey JEZHNFFSZYUXJQ-UHFFFAOYSA-N
Mol Weight 354.45 g/mol
Molecular Formula C21H26N2O3
Exact Mass 354.194343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Wy2PvsGb8J
Name 3,6-Methano-3H-azecino[5,4-b]indole-8-carboxylic acid, 1,2,4,5,6,7,8,9-octahydro-5-(1-oxopropyl)-, methyl ester, (5R*,6S*,8S*)-(.+-.)-
CAS Registry Number 122698-17-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26N2O3
InChI InChI=1S/C21H26N2O3/c1-3-19(24)17-12-23-9-8-15-14-6-4-5-7-18(14)22-20(15)16(21(25)26-2)10-13(17)11-23/h4-7,13,16-17,22H,3,8-12H2,1-2H3
InChIKey JEZHNFFSZYUXJQ-UHFFFAOYSA-N
Molecular Weight 354.450 g/mol
SMILES [nH]1c2ccccc2c2CCN3CC(C(CC(c12)C(=O)OC)C3)C(=O)CC
SPLASH splash10-0udj-9745000000-baeba87e850a2be590a7
Source of Spectrum J-54-4564-30
Synonyms 3,6-Methano-3H-azecino[5,4-b]indole-8-carboxylic acid 1,2,4,5,6,7,8,9-octahydro-5-(1-oxopropyl)-, methyl ester Methyl 16-propionyl-1,11-diazatetracyclo[13.2.1.0(4,12).0(5,10)]octadeca-4(12),5,7,9-tetraene-13-carboxylate
Wiley ID 1344776