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Octanoic acid, 2-hexyl-

View entire compound with spectra: 4 MS (GC)

Octanoic acid, 2-hexyl-
SpectraBase Compound ID 1CTRN3WvOtQ
InChI InChI=1S/C14H28O2/c1-3-5-7-9-11-13(14(15)16)12-10-8-6-4-2/h13H,3-12H2,1-2H3,(H,15,16)
InChIKey SQPZLZZLAPHSPL-UHFFFAOYSA-N
Mol Weight 228.38 g/mol
Molecular Formula C14H28O2
Exact Mass 228.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HZktuaxt6VQ
Name Octanoic acid, 2-hexyl-
Alternate Name(s) 2-Hexylcaprylic acid 2-Hexyloctanoic acid AI3-11063 EINECS 262-534-2
CAS Registry Number 60948-91-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H28O2
InChI InChI=1S/C14H28O2/c1-3-5-7-9-11-13(14(15)16)12-10-8-6-4-2/h13H,3-12H2,1-2H3,(H,15,16)
InChIKey SQPZLZZLAPHSPL-UHFFFAOYSA-N
Molecular Weight 228.376 g/mol
SMILES OC(C(CCCCCC)CCCCCC)=O
SPLASH splash10-0006-9800000000-79a102a71da4f8764fea
Wiley ID 1489720