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3-Isoquinolinecarboxylic acid, 1,2-dihydro-7-methoxy-, ethyl ester
SpectraBase Compound ID ALrp6mpKjUy
InChI InChI=1S/C13H15NO3/c1-3-17-13(15)12-7-9-4-5-11(16-2)6-10(9)8-14-12/h4-7,14H,3,8H2,1-2H3
InChIKey CCNCGLBBWBGNHE-UHFFFAOYSA-N
Mol Weight 233.27 g/mol
Molecular Formula C13H15NO3
Exact Mass 233.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FAbNhxUcerC
Name 3-Isoquinolinecarboxylic acid, 1,2-dihydro-7-methoxy-, ethyl ester
CAS Registry Number 100606-53-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NO3
InChI InChI=1S/C13H15NO3/c1-3-17-13(15)12-7-9-4-5-11(16-2)6-10(9)8-14-12/h4-7,14H,3,8H2,1-2H3
InChIKey CCNCGLBBWBGNHE-UHFFFAOYSA-N
Molecular Weight 233.267 g/mol
SMILES N1Cc2cc(ccc2C=C1C(=O)OCC)OC
SPLASH splash10-01q9-0890000000-02fba519372d1a33005f
Source of Spectrum J-51-1123-9
Synonyms 3-(ethoxycarbonyl)-7-methoxy-1,2-dihydroisoquinoline Ethyl 7-methoxy-1,2-dihydro-3-isoquinolinecarboxylate
Wiley ID 1234900