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3-(6-Chloro-1-cyano-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)propionic acid ethyl ester
SpectraBase Compound ID ESezpOT9TTG
InChI InChI=1S/C17H17ClN2O3/c1-2-22-15(21)5-7-17(10-19)16-12(6-8-23-17)13-9-11(18)3-4-14(13)20-16/h3-4,9,20H,2,5-8H2,1H3
InChIKey FTLKEXZXLOWSFD-UHFFFAOYSA-N
Mol Weight 332.79 g/mol
Molecular Formula C17H17ClN2O3
Exact Mass 332.09277 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EGuj1x2SKaj
Name 3-(6-Chloro-1-cyano-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)propionic acid ethyl ester
Alternate Name(s) Ethyl 3-(6-chloro-1-cyano-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17ClN2O3
InChI InChI=1S/C17H17ClN2O3/c1-2-22-15(21)5-7-17(10-19)16-12(6-8-23-17)13-9-11(18)3-4-14(13)20-16/h3-4,9,20H,2,5-8H2,1H3
InChIKey FTLKEXZXLOWSFD-UHFFFAOYSA-N
Molecular Weight 332.787 g/mol
SMILES [nH]1c2ccc(cc2c2c1C(OCC2)(CCC(=O)OCC)C#N)Cl
SPLASH splash10-001i-0094000000-3723305301188d720770
Source of Spectrum O1-60-1104-37
Wiley ID 1592045