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Pimelic acid, 8-chlorooctyl undecyl ester

View entire compound with spectra: 1 MS (GC)

Pimelic acid, 8-chlorooctyl undecyl ester
SpectraBase Compound ID 6ZRuzN3XAy1
InChI InChI=1S/C26H49ClO4/c1-2-3-4-5-6-7-9-12-18-23-30-25(28)20-15-14-16-21-26(29)31-24-19-13-10-8-11-17-22-27/h2-24H2,1H3
InChIKey QWBASFUSAFNXKX-UHFFFAOYSA-N
Mol Weight 461.1 g/mol
Molecular Formula C26H49ClO4
Exact Mass 460.331938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HL9JCQsYI7g
Name Pimelic acid, 8-chlorooctyl undecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H49ClO4
InChI InChI=1S/C26H49ClO4/c1-2-3-4-5-6-7-9-12-18-23-30-25(28)20-15-14-16-21-26(29)31-24-19-13-10-8-11-17-22-27/h2-24H2,1H3
InChIKey QWBASFUSAFNXKX-UHFFFAOYSA-N
Molecular Weight 461.127 g/mol
SMILES C(CCCCCC(OCCCCCCCCCl)=O)(OCCCCCCCCCCC)=O
SPLASH splash10-0006-9720000000-c458defe008d39f21622
Source of Spectrum TIPS-2022-847-0
Wiley ID 1822364