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Butanoic acid, 2-methyl-, 3,4-dihydro-2-oxo-4-pentyl-2H-1-benzopyran-5,7-diyl ester
SpectraBase Compound ID 2BsahD1v9u0
InChI InChI=1S/C24H34O6/c1-6-9-10-11-17-12-21(25)29-19-13-18(28-23(26)15(4)7-2)14-20(22(17)19)30-24(27)16(5)8-3/h13-17H,6-12H2,1-5H3
InChIKey LYZBPQGPTAXMSZ-UHFFFAOYSA-N
Mol Weight 418.5 g/mol
Molecular Formula C24H34O6
Exact Mass 418.235539 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CKC9uFJdOFw
Name Butanoic acid, 2-methyl-, 3,4-dihydro-2-oxo-4-pentyl-2H-1-benzopyran-5,7-diyl ester
CAS Registry Number 98192-77-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H34O6
InChI InChI=1S/C24H34O6/c1-6-9-10-11-17-12-21(25)29-19-13-18(28-23(26)15(4)7-2)14-20(22(17)19)30-24(27)16(5)8-3/h13-17H,6-12H2,1-5H3
InChIKey LYZBPQGPTAXMSZ-UHFFFAOYSA-N
Molecular Weight 418.530 g/mol
SMILES c12c(c(OC(=O)C(CC)C)cc(c2)OC(=O)C(CC)C)C(CCCCC)CC(O1)=O
SPLASH splash10-0ufr-0493000000-e66669ddb6a181b63ba1
Source of Spectrum KC-1987-348-2
Synonyms 5,7-bis(2-methylbutyryloxy)-4-pentyl-3,4-dihydrocoumarin 5-[(2-methylbutanoyl)oxy]-2-oxo-4-pentyl-3,4-dihydro-2H-chromen-7-yl 2-methylbutanoate
Wiley ID 1377269