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7-ETHOXY-5-FORMYL-3,4,5,6-TETRAHYDRO-1H-AZEPINO-[5,4,3-CD]-INDOLE-2-CARBOXYLIC-ACID-ETHYLESTER;MAJOR-ROTAMER
SpectraBase Compound ID 4fjhhVowcrD
InChI InChI=1S/C17H20N2O4/c1-3-22-14-6-5-13-15-11(16(18-13)17(21)23-4-2)7-8-19(10-20)9-12(14)15/h5-6,10,18H,3-4,7-9H2,1-2H3
InChIKey RDDNCSWMCUEKFW-UHFFFAOYSA-N
Mol Weight 316.36 g/mol
Molecular Formula C17H20N2O4
Exact Mass 316.142307 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID La19n656QNK
Name 7-Ethoxy-5-formyl-3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indole-2-carboxylic acid ethyl ester
Alternate Name(s) Ethyl 7-ethoxy-5-formyl-3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indole-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20N2O4
InChI InChI=1S/C17H20N2O4/c1-3-22-14-6-5-13-15-11(16(18-13)17(21)23-4-2)7-8-19(10-20)9-12(14)15/h5-6,10,18H,3-4,7-9H2,1-2H3
InChIKey RDDNCSWMCUEKFW-UHFFFAOYSA-N
Molecular Weight 316.357 g/mol
SMILES [nH]1c2ccc(c3c2c(c1C(=O)OCC)CCN(C3)C=O)OCC
SPLASH splash10-00kr-0293000000-61321779a84e545a8c0f
Source of Spectrum H1-45-2342-10
Wiley ID 815890