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Pimelic acid, 2-propylphenyl 4-methylpent-2-yl ester
SpectraBase Compound ID IqEh9i5wGhP
InChI InChI=1S/C22H34O4/c1-5-11-19-12-9-10-13-20(19)26-22(24)15-8-6-7-14-21(23)25-18(4)16-17(2)3/h9-10,12-13,17-18H,5-8,11,14-16H2,1-4H3
InChIKey XNHTXAWMLXXMRB-UHFFFAOYSA-N
Mol Weight 362.5 g/mol
Molecular Formula C22H34O4
Exact Mass 362.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID tfePq7DuL2
Name Pimelic acid, 2-propylphenyl 4-methylpent-2-yl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H34O4
InChI InChI=1S/C22H34O4/c1-5-11-19-12-9-10-13-20(19)26-22(24)15-8-6-7-14-21(23)25-18(4)16-17(2)3/h9-10,12-13,17-18H,5-8,11,14-16H2,1-4H3
InChIKey XNHTXAWMLXXMRB-UHFFFAOYSA-N
Molecular Weight 362.510 g/mol
SMILES C(CCCCCC(Oc1c(cccc1)CCC)=O)(OC(CC(C)C)C)=O
SPLASH splash10-000f-6910000000-7a63350c30ad11d2cf20
Source of Spectrum TIPS-2022-410-0
Wiley ID 1821927