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1-Ethyl 2-Methyl 4-Decyl-3-hydroxy-5-methylphthalate
SpectraBase Compound ID 1Xcf1Bkotjk
InChI InChI=1S/C22H34O5/c1-5-7-8-9-10-11-12-13-14-17-16(3)15-18(21(24)27-6-2)19(20(17)23)22(25)26-4/h15,23H,5-14H2,1-4H3
InChIKey PRJNXZANZHPAAY-UHFFFAOYSA-N
Mol Weight 378.5 g/mol
Molecular Formula C22H34O5
Exact Mass 378.240624 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DNaaiUD3ZSZ
Name 1-Ethyl 2-Methyl 4-Decyl-3-hydroxy-5-methylphthalate
Comments Removed - expert review - bad spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H34O5
InChI InChI=1S/C22H34O5/c1-5-7-8-9-10-11-12-13-14-17-16(3)15-18(21(24)27-6-2)19(20(17)23)22(25)26-4/h15,23H,5-14H2,1-4H3
InChIKey PRJNXZANZHPAAY-UHFFFAOYSA-N
Molecular Weight 378.509 g/mol
SMILES Oc1c(c(cc(c1CCCCCCCCCC)C)C(=O)OCC)C(=O)OC
SPLASH splash10-00di-0392000000-ad9849d7ff7a0b989a7c
Source of Spectrum U1-2010-3737-4i
Synonyms 4-decyl-3-hydroxy-5-methylbenzene-1,2-dicarboxylic acid O1-ethyl ester O2-methyl ester 1-O-ethyl 2-O-methyl 4-decyl-3-hydroxy-5-methylbenzene-1,2-dicarboxylate O1-ethyl O2-methyl 4-decyl-3-hydroxy-5-methyl-benzene-1,2-dicarboxylate O1-ethyl O2-methyl 4-decyl-5-methyl-3-oxidanyl-benzene-1,2-dicarboxylate
Wiley ID 1663912