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Pimelic acid, dec-2-yl decyl ester

View entire compound with spectra: 1 MS (GC)

Pimelic acid, dec-2-yl decyl ester
SpectraBase Compound ID 6p5hYGAehRs
InChI InChI=1S/C27H52O4/c1-4-6-8-10-12-13-15-20-24-30-26(28)22-18-16-19-23-27(29)31-25(3)21-17-14-11-9-7-5-2/h25H,4-24H2,1-3H3
InChIKey TUUSIKHXRKBBMM-UHFFFAOYSA-N
Mol Weight 440.7 g/mol
Molecular Formula C27H52O4
Exact Mass 440.38656 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8yuGdIRxXfT
Name Pimelic acid, dec-2-yl decyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H52O4
InChI InChI=1S/C27H52O4/c1-4-6-8-10-12-13-15-20-24-30-26(28)22-18-16-19-23-27(29)31-25(3)21-17-14-11-9-7-5-2/h25H,4-24H2,1-3H3
InChIKey TUUSIKHXRKBBMM-UHFFFAOYSA-N
Molecular Weight 440.709 g/mol
SMILES C(CCCCCC(OC(CCCCCCCC)C)=O)(OCCCCCCCCCC)=O
SPLASH splash10-0006-7910000000-c2d45457a94d3d68d073
Source of Spectrum TIPS-2022-930-0
Wiley ID 1822447