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4a(2H)-Isoquinolinol, 1-(2-ethoxyphenyl)octahydro-2-(2-methoxybenzoyl)-
SpectraBase Compound ID GemcwhfmzwU
InChI InChI=1S/C25H31NO4/c1-3-30-22-14-7-4-10-18(22)23-20-12-8-9-15-25(20,28)16-17-26(23)24(27)19-11-5-6-13-21(19)29-2/h4-7,10-11,13-14,20,23,28H,3,8-9,12,15-17H2,1-2H3
InChIKey MSNAJPITWAXSRH-UHFFFAOYSA-N
Mol Weight 409.53 g/mol
Molecular Formula C25H31NO4
Exact Mass 409.225308 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HkuitaX218N
Name 4a(2H)-Isoquinolinol, 1-(2-ethoxyphenyl)octahydro-2-(2-methoxybenzoyl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H31NO4
InChI InChI=1S/C25H31NO4/c1-3-30-22-14-7-4-10-18(22)23-20-12-8-9-15-25(20,28)16-17-26(23)24(27)19-11-5-6-13-21(19)29-2/h4-7,10-11,13-14,20,23,28H,3,8-9,12,15-17H2,1-2H3
InChIKey MSNAJPITWAXSRH-UHFFFAOYSA-N
Molecular Weight 409.526 g/mol
SMILES OC12CCN(C(c3c(OC)cccc3)=O)C(C2CCCC1)c1c(OCC)cccc1
SPLASH splash10-052r-3954200000-0235cba1c56b7421908a
Source of Spectrum IY-1-4643-3
Synonyms [1-(2-ethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(2-methoxyphenyl)methanone [1-(2-ethoxyphenyl)-4a-oxidanyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(2-methoxyphenyl)methanone
Wiley ID 1654416