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1-Naphthalenepropanoic acid, 6-cyano-5,6,7,8-tetrahydro-6-hydroxy-4-methoxy-, methyl ester, (.+-.)-
SpectraBase Compound ID DdcJgiIjQ4U
InChI InChI=1S/C16H19NO4/c1-20-14-5-3-11(4-6-15(18)21-2)12-7-8-16(19,10-17)9-13(12)14/h3,5,19H,4,6-9H2,1-2H3
InChIKey SDPOGKMOTBTPSB-UHFFFAOYSA-N
Mol Weight 289.33 g/mol
Molecular Formula C16H19NO4
Exact Mass 289.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 42yBovCc39K
Name 1-Naphthalenepropanoic acid, 6-cyano-5,6,7,8-tetrahydro-6-hydroxy-4-methoxy-, methyl ester, (.+-.)-
CAS Registry Number 80738-93-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19NO4
InChI InChI=1S/C16H19NO4/c1-20-14-5-3-11(4-6-15(18)21-2)12-7-8-16(19,10-17)9-13(12)14/h3,5,19H,4,6-9H2,1-2H3
InChIKey SDPOGKMOTBTPSB-UHFFFAOYSA-N
Molecular Weight 289.331 g/mol
SMILES OC1(C#N)Cc2c(CC1)c(CCC(=O)OC)ccc2OC
SPLASH splash10-01p9-0690000000-34f68f6f6ea4a3101120
Source of Spectrum B-34-1915-0
Synonyms Methyl 3-(6'-cyano-6'-hydroxy-4'-methoxy-5',6',7',8'-tetrahydronaphthalen-1'-yl)propanoate Methyl 3-(6-cyano-6-hydroxy-4-methoxy-5,6,7,8-tetrahydro-1-naphthalenyl)propanoate
Wiley ID 1292635