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2,4-Dihydroxy-6-pentylbenzoic acid methyl ester
SpectraBase Compound ID AfzlqJ2slPm
InChI InChI=1S/C13H18O4/c1-3-4-5-6-9-7-10(14)8-11(15)12(9)13(16)17-2/h7-8,14-15H,3-6H2,1-2H3
InChIKey RQGAOBDPFOADCM-UHFFFAOYSA-N
Mol Weight 238.28 g/mol
Molecular Formula C13H18O4
Exact Mass 238.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IRWIogCA0qq
Name 2,4-Dihydroxy-6-pentylbenzoic acid methyl ester
CAS Registry Number 58016-28-7
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O4
InChI InChI=1S/C13H18O4/c1-3-4-5-6-9-7-10(14)8-11(15)12(9)13(16)17-2/h7-8,14-15H,3-6H2,1-2H3
InChIKey RQGAOBDPFOADCM-UHFFFAOYSA-N
Molecular Weight 238.283 g/mol
SMILES Oc1cc(c(c(c1)O)C(=O)OC)CCCCC
SPLASH splash10-0kaa-0970000000-7e316a006374ef6b0ea5
Source of Spectrum J-51-2427-15
Synonyms 2-Amyl-4,6-dihydroxy-benzoic acid methyl ester Methyl 2,4-bis(oxidanyl)-6-pentyl-benzoate Methyl 2,4-dihydroxy-6-pentyl-benzoate
Wiley ID 1240511