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benzoic acid, 4-[[(3,4-dihydro-1H-2-benzopyran-1-yl)carbonyl]amino]-, ethyl ester
SpectraBase Compound ID EddUThCiyRT
InChI InChI=1S/C19H19NO4/c1-2-23-19(22)14-7-9-15(10-8-14)20-18(21)17-16-6-4-3-5-13(16)11-12-24-17/h3-10,17H,2,11-12H2,1H3,(H,20,21)
InChIKey GVDNLHBNSGDSAB-UHFFFAOYSA-N
Mol Weight 325.36 g/mol
Molecular Formula C19H19NO4
Exact Mass 325.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8qjGOSLyJyA
Name Benzoic acid, 4-[[(3,4-dihydro-1H-2-benzopyran-1-yl)carbonyl]amino]-, ethyl ester
Alternate Name(s) 4-(isochroman-1-carbonylamino)benzoic acid ethyl ester 4-[[3,4-dihydro-1H-2-benzopyran-1-yl(oxo)methyl]amino]benzoic acid ethyl ester Ethyl 4-(3,4-dihydro-1H-isochromen-1-ylcarbonylamino)benzoate Ethyl 4-(3,4-dihydro-1H-isochromene-1-carbonylamino)benzoate Ethyl 4-(isochromane-1-carbonylamino)benzoate
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Formula C19H19NO4
InChI InChI=1S/C19H19NO4/c1-2-23-19(22)14-7-9-15(10-8-14)20-18(21)17-16-6-4-3-5-13(16)11-12-24-17/h3-10,17H,2,11-12H2,1H3,(H,20,21)
InChIKey GVDNLHBNSGDSAB-UHFFFAOYSA-N
Molecular Weight 325.364 g/mol
SMILES N(C(C1c2c(cccc2)CCO1)=O)c1ccc(C(=O)OCC)cc1
SPLASH splash10-001i-2900000000-d2d4f5914918626252ff
Wiley ID 1448440