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2H-1-Benzopyran-2-one, 3,4-dihydro-5,7-dihydroxy-8-(2-methylbutyl)-4-pentyl-
SpectraBase Compound ID JQh5tsrLxxx
InChI InChI=1S/C19H28O4/c1-4-6-7-8-13-10-17(22)23-19-14(9-12(3)5-2)15(20)11-16(21)18(13)19/h11-13,20-21H,4-10H2,1-3H3
InChIKey KWJASDXCZRXQGH-UHFFFAOYSA-N
Mol Weight 320.43 g/mol
Molecular Formula C19H28O4
Exact Mass 320.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9vYe8sSjaMO
Name 2H-1-Benzopyran-2-one, 3,4-dihydro-5,7-dihydroxy-8-(2-methylbutyl)-4-pentyl-
Alternate Name(s) 5,7-Dihydroxy-8-(2-methylbutyl)-4-pentyl-2-chromanone 5,7-Dihydroxy-8-(2-methylbutyl)-4-pentyl-3,4-dihydrocoumarin
CAS Registry Number 111249-90-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H28O4
InChI InChI=1S/C19H28O4/c1-4-6-7-8-13-10-17(22)23-19-14(9-12(3)5-2)15(20)11-16(21)18(13)19/h11-13,20-21H,4-10H2,1-3H3
InChIKey KWJASDXCZRXQGH-UHFFFAOYSA-N
Molecular Weight 320.429 g/mol
SMILES Oc1c2c(c(c(c1)O)CC(CC)C)OC(CC2CCCCC)=O
SPLASH splash10-03di-0090000000-3a1ab378ead1ce96304f
Source of Spectrum KC-1987-347-2
Wiley ID 1320283