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Heptanedioic acid, bis(4-methyl-2-oxo-2H-1-benzopyran-7-yl) ester
SpectraBase Compound ID Am7fsgRqkGT
InChI InChI=1S/C27H24O8/c1-16-12-26(30)34-22-14-18(8-10-20(16)22)32-24(28)6-4-3-5-7-25(29)33-19-9-11-21-17(2)13-27(31)35-23(21)15-19/h8-15H,3-7H2,1-2H3
InChIKey GPRQXSARNZKMFY-UHFFFAOYSA-N
Mol Weight 476.48 g/mol
Molecular Formula C27H24O8
Exact Mass 476.147118 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID mzhLpnGSrr
Name Heptanedioic acid, bis(4-methyl-2-oxo-2H-1-benzopyran-7-yl) ester
CAS Registry Number 64852-78-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H24O8
InChI InChI=1S/C27H24O8/c1-16-12-26(30)34-22-14-18(8-10-20(16)22)32-24(28)6-4-3-5-7-25(29)33-19-9-11-21-17(2)13-27(31)35-23(21)15-19/h8-15H,3-7H2,1-2H3
InChIKey GPRQXSARNZKMFY-UHFFFAOYSA-N
Molecular Weight 476.481 g/mol
SMILES c12OC(=O)C=C(c2ccc(c1)OC(=O)CCCCCC(Oc1cc2OC(=O)C=C(c2cc1)C)=O)C
SPLASH splash10-004i-0902000000-e137a29e90184fa882a3
Source of Spectrum O-12-227-1
Synonyms 1,5-n-pentane-4-methyl-7-coumarinyl diester bis(4-methyl-2-oxo-2H-chromen-7-yl) pimelate Bis(4-methylcoumarinyl-7)heptan-1,7-dioate
Wiley ID 1394325