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Methyl 2-([(8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-7-yl)carbonyl]amino)-3-phenylpropanoate
SpectraBase Compound ID 4KLYyHCx8bY
InChI InChI=1S/C21H21NO6/c1-12-10-14-8-9-15(18(23)17(14)21(26)28-12)19(24)22-16(20(25)27-2)11-13-6-4-3-5-7-13/h3-9,12,16,23H,10-11H2,1-2H3,(H,22,24)
InChIKey AHCWMOFIRSZKKF-UHFFFAOYSA-N
Mol Weight 383.4 g/mol
Molecular Formula C21H21NO6
Exact Mass 383.136887 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HON54BuFzBY
Name Methyl 2-([(8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-7-yl)carbonyl]amino)-3-phenylpropanoate
CAS Registry Number 18496-57-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21NO6
InChI InChI=1S/C21H21NO6/c1-12-10-14-8-9-15(18(23)17(14)21(26)28-12)19(24)22-16(20(25)27-2)11-13-6-4-3-5-7-13/h3-9,12,16,23H,10-11H2,1-2H3,(H,22,24)
InChIKey AHCWMOFIRSZKKF-UHFFFAOYSA-N
Molecular Weight 383.400 g/mol
SMILES Oc1c2C(OC(Cc2ccc1C(NC(Cc1ccccc1)C(=O)OC)=O)C)=O
SPLASH splash10-0ab9-0190000000-7c3f76ad795c5e0d2d87
Source of Spectrum MY-1981-0-0
Synonyms 2-[(8-hydroxy-1-keto-3-methyl-isochroman-7-carbonyl)amino]-3-phenyl-propionic acid methyl ester 2-[[(8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)-oxomethyl]amino]-3-phenylpropanoic acid methyl ester Alanine, N-[(8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl]-3-phenyl-, methyl ester, L- L-Phenylalanine, N-[(3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyranyl)carbonyl]-, methyl ester, (R)- Methyl 2-[(3-methyl-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl)carbonylamino]-3-phenyl-propanoate Methyl 2-[(8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-phenylpropanoate Methyl 2-[(8-hydroxy-3-methyl-1-oxo-isochromane-7-carbonyl)amino]-3-phenyl-propanoate Ochratoxin B methyl ester
Wiley ID 1361073