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2-Allyl-3-(4-benzyloxy-2-hydroxymethylphenyl)-2H-isoquinolin-1-one

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

2-Allyl-3-(4-benzyloxy-2-hydroxymethylphenyl)-2H-isoquinolin-1-one
SpectraBase Compound ID LbVcA9L3x1
InChI InChI=1S/C26H23NO3/c1-2-14-27-25(16-20-10-6-7-11-24(20)26(27)29)23-13-12-22(15-21(23)17-28)30-18-19-8-4-3-5-9-19/h2-13,15-16,28H,1,14,17-18H2
InChIKey ARZPANNCXIVXKG-UHFFFAOYSA-N
Mol Weight 397.47 g/mol
Molecular Formula C26H23NO3
Exact Mass 397.167794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8KCZQDNuSQ2
Name 2-Allyl-3-(4-benzyloxy-2-hydroxymethylphenyl)-2H-isoquinolin-1-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H23NO3
InChI InChI=1S/C26H23NO3/c1-2-14-27-25(16-20-10-6-7-11-24(20)26(27)29)23-13-12-22(15-21(23)17-28)30-18-19-8-4-3-5-9-19/h2-13,15-16,28H,1,14,17-18H2
InChIKey ARZPANNCXIVXKG-UHFFFAOYSA-N
Molecular Weight 397.474 g/mol
SMILES OCc1c(C=2N(C(=O)c3c(C2)cccc3)CC=C)ccc(OCc2ccccc2)c1
SPLASH splash10-0002-0009000000-4d780726e2f481311ec3
Source of Spectrum E1-59-1172-10a
Synonyms 3-[2-(hydroxymethyl)-4-phenylmethoxyphenyl]-2-prop-2-enyl-1-isoquinolinone 3-[2-(hydroxymethyl)-4-phenylmethoxyphenyl]-2-prop-2-enylisoquinolin-1-one 2-allyl-3-[4-benzyloxy-2-(hydroxymethyl)phenyl]isoquinolin-1-one 3-[2-(hydroxymethyl)-4-phenylmethoxy-phenyl]-2-prop-2-enyl-isoquinolin-1-one
Wiley ID 1705428