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2,4-Dihydroxy-6-n-octylbenzoic acid, methyl ester
SpectraBase Compound ID LXrQRk0O6PB
InChI InChI=1S/C16H24O4/c1-3-4-5-6-7-8-9-12-10-13(17)11-14(18)15(12)16(19)20-2/h10-11,17-18H,3-9H2,1-2H3
InChIKey BMYRSFFEXUXCSS-UHFFFAOYSA-N
Mol Weight 280.36 g/mol
Molecular Formula C16H24O4
Exact Mass 280.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jqkkbr6MkE2
Name 2,4-Dihydroxy-6-n-octylbenzoic acid, methyl ester
Alternate Name(s) Methyl 2,4-dihydroxy-6-octylbenzoate
CAS Registry Number 102342-64-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H24O4
InChI InChI=1S/C16H24O4/c1-3-4-5-6-7-8-9-12-10-13(17)11-14(18)15(12)16(19)20-2/h10-11,17-18H,3-9H2,1-2H3
InChIKey BMYRSFFEXUXCSS-UHFFFAOYSA-N
Molecular Weight 280.364 g/mol
SMILES Oc1cc(c(c(c1)O)C(=O)OC)CCCCCCCC
SPLASH splash10-00p0-8900000000-23422dd2576eaa1d5093
Source of Spectrum J-51-2427-15
Wiley ID 1283964