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8-(2-Methyl-1,3-dioxolan-2-yl)caprylic acid

View entire compound with spectra: 1 MS (GC)

8-(2-Methyl-1,3-dioxolan-2-yl)caprylic acid
SpectraBase Compound ID 8PXHT7RvG2L
InChI InChI=1S/C12H22O4/c1-12(15-9-10-16-12)8-6-4-2-3-5-7-11(13)14/h2-10H2,1H3,(H,13,14)
InChIKey PXHXQPUZLMWAHZ-UHFFFAOYSA-N
Mol Weight 230.3 g/mol
Molecular Formula C12H22O4
Exact Mass 230.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ebV7tlcdMl
Name 8-(2-Methyl-1,3-dioxolan-2-yl)caprylic acid
Alternate Name(s) 8-(2-Methyl-1,3-dioxolan-2-yl)octanoic acid
CAS Registry Number 4388-49-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O4
InChI InChI=1S/C12H22O4/c1-12(15-9-10-16-12)8-6-4-2-3-5-7-11(13)14/h2-10H2,1H3,(H,13,14)
InChIKey PXHXQPUZLMWAHZ-UHFFFAOYSA-N
Molecular Weight 230.304 g/mol
SMILES OC(CCCCCCCC1(OCCO1)C)=O
SPLASH splash10-000i-9000000000-6d9eae47d45f24884d38
Source of Spectrum H-66-1522-0
Wiley ID 1231631