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Adipic acid, diphenyl ester

View entire compound with spectra: 2 MS (GC)

Adipic acid, diphenyl ester
SpectraBase Compound ID 4fCaRrQsmD2
InChI InChI=1S/C18H18O4/c19-17(21-15-9-3-1-4-10-15)13-7-8-14-18(20)22-16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2
InChIKey BDIFKMOUQSYRRD-UHFFFAOYSA-N
Mol Weight 298.34 g/mol
Molecular Formula C18H18O4
Exact Mass 298.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CmLz7XRL7Rr
Name Adipic acid, diphenyl ester
Alternate Name(s) Diphenyl hexanedioate Hexanedioic acid diphenyl ester
CAS Registry Number 3195-37-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18O4
InChI InChI=1S/C18H18O4/c19-17(21-15-9-3-1-4-10-15)13-7-8-14-18(20)22-16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2
InChIKey BDIFKMOUQSYRRD-UHFFFAOYSA-N
Molecular Weight 298.338 g/mol
SMILES c1cc(ccc1)OC(=O)CCCCC(Oc1ccccc1)=O
SPLASH splash10-08fr-8940000000-d0f85634a693cef6ab1d
Wiley ID 1490792