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Methyl 5-acetyl-6-(2-methyl-1-propenyl)-3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indole-4-carboxylate
SpectraBase Compound ID 7Yl2DD5QihK
InChI InChI=1S/C19H22N2O3/c1-11(2)8-16-14-6-5-7-15-18(14)13(10-20-15)9-17(19(23)24-4)21(16)12(3)22/h5-8,10,16-17,20H,9H2,1-4H3
InChIKey MKIGIYWOVYFJGY-UHFFFAOYSA-N
Mol Weight 326.4 g/mol
Molecular Formula C19H22N2O3
Exact Mass 326.163043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8CCboZhFnRx
Name Methyl 5-acetyl-6-(2-methyl-1-propenyl)-3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indole-4-carboxylate
Alternate Name(s) 1H-Azepino[5,4,3-cd]indole-4-carboxylic acid, 5-acetyl-3,4,5,6-tetrahydro-6-(2-methyl-1-propenyl)-, methyl ester, (4S-trans)-
CAS Registry Number 41173-97-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22N2O3
InChI InChI=1S/C19H22N2O3/c1-11(2)8-16-14-6-5-7-15-18(14)13(10-20-15)9-17(19(23)24-4)21(16)12(3)22/h5-8,10,16-17,20H,9H2,1-4H3
InChIKey MKIGIYWOVYFJGY-UHFFFAOYSA-N
Molecular Weight 326.396 g/mol
SMILES [nH]1c2cccc3C(N(C(Cc(c1)c23)C(=O)OC)C(C)=O)C=C(C)C
SPLASH splash10-001i-3691000000-06db8cc205907039a434
Source of Spectrum W5-0-0-0
Wiley ID 1324878