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3-Butyl-7-methoxy-isoquinoline-4-carboxylic acid methyl ester

View entire compound with spectra: 2 MS (GC)

3-Butyl-7-methoxy-isoquinoline-4-carboxylic acid methyl ester
SpectraBase Compound ID GTQYog6Wonv
InChI InChI=1S/C16H19NO3/c1-4-5-6-14-15(16(18)20-3)13-8-7-12(19-2)9-11(13)10-17-14/h7-10H,4-6H2,1-3H3
InChIKey OPSNZMUJAKEGJK-UHFFFAOYSA-N
Mol Weight 273.33 g/mol
Molecular Formula C16H19NO3
Exact Mass 273.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 87pf04YWG7x
Name 3-Butyl-7-methoxy-isoquinoline-4-carboxylic acid methyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19NO3
InChI InChI=1S/C16H19NO3/c1-4-5-6-14-15(16(18)20-3)13-8-7-12(19-2)9-11(13)10-17-14/h7-10H,4-6H2,1-3H3
InChIKey OPSNZMUJAKEGJK-UHFFFAOYSA-N
Molecular Weight 273.332 g/mol
SMILES c1(c2c(cc(cc2)OC)cnc1CCCC)C(=O)OC
SPLASH splash10-00si-0590000000-a6314efffc6af4f24a0b
Source of Spectrum U1-2011-5632-3c
Synonyms Methyl 3-Butyl-7-methoxyisoquinoline-4-carboxylate 3-Butyl-7-methoxy-4-isoquinolinecarboxylic acid methyl ester Methyl 3-butyl-7-methoxy-isoquinoline-4-carboxylate
Wiley ID 1703186