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Pimelic acid, hex-3-yl dodecyl ester
SpectraBase Compound ID JNcZ95EyjL2
InChI InChI=1S/C25H48O4/c1-4-7-8-9-10-11-12-13-14-18-22-28-24(26)20-16-15-17-21-25(27)29-23(6-3)19-5-2/h23H,4-22H2,1-3H3
InChIKey NSYDDLDYIMJXAI-UHFFFAOYSA-N
Mol Weight 412.7 g/mol
Molecular Formula C25H48O4
Exact Mass 412.35526 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KItRrSosKt6
Name Pimelic acid, hex-3-yl dodecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H48O4
InChI InChI=1S/C25H48O4/c1-4-7-8-9-10-11-12-13-14-18-22-28-24(26)20-16-15-17-21-25(27)29-23(6-3)19-5-2/h23H,4-22H2,1-3H3
InChIKey NSYDDLDYIMJXAI-UHFFFAOYSA-N
Molecular Weight 412.655 g/mol
SMILES C(CCCCCC(OC(CCC)CC)=O)(OCCCCCCCCCCCC)=O
SPLASH splash10-0006-6900000000-5450c8ee9eef82a2cca6
Source of Spectrum TIPS-2022-966-0
Wiley ID 1822483