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1-(Phenylethyl)-3,4,6,7,8,8a-hexahydro-1H-isochromene-3-carboxylic acid methyl ester
SpectraBase Compound ID LWnmNsK2Oo
InChI InChI=1S/C19H24O3/c1-21-19(20)18-13-15-9-5-6-10-16(15)17(22-18)12-11-14-7-3-2-4-8-14/h2-4,7-9,16-18H,5-6,10-13H2,1H3
InChIKey NIVIHNWOGWVGCM-UHFFFAOYSA-N
Mol Weight 300.4 g/mol
Molecular Formula C19H24O3
Exact Mass 300.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3c8fPEvxaa
Name 1-(Phenylethyl)-3,4,6,7,8,8a-hexahydro-1H-isochromene-3-carboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H24O3
InChI InChI=1S/C19H24O3/c1-21-19(20)18-13-15-9-5-6-10-16(15)17(22-18)12-11-14-7-3-2-4-8-14/h2-4,7-9,16-18H,5-6,10-13H2,1H3
InChIKey NIVIHNWOGWVGCM-UHFFFAOYSA-N
Molecular Weight 300.398 g/mol
SMILES C1=2C(C(CCc3ccccc3)OC(C1)C(=O)OC)CCCC2
SPLASH splash10-0pvm-4923000000-2ac8acd7f51bbb058b50
Source of Spectrum C5-2002-939-2
Synonyms 1-Phenethyl-3,4,6,7,8,8a-hexahydro-1H-isochromene-3-carboxylic acid methyl ester Methyl 1-(2-phenylethyl)-3,4,6,7,8,8a-hexahydro-1H-2-benzopyran-3-carboxylate
Wiley ID 1614604