2-methylbutyric acid [4-methoxy-2-(3-methyloxiran-2-yl)phenyl] ester

SpectraBase Compound ID	FI838PCrmj
InChI	InChI=1S/C15H20O4/c1-5-9(2)15(16)19-13-7-6-11(17-4)8-12(13)14-10(3)18-14/h6-10,14H,5H2,1-4H3
InChIKey	VXWVNVFBEJTTKA-UHFFFAOYSA-N Google Search
Mol Weight	264.32 g/mol
Molecular Formula	C15H20O4
Exact Mass	264.136159 g/mol

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SpectraBase Spectrum ID	IxOoSpp00cA
Name	Epoxy-pseudoisoeugenyl 2-methylbutyrate
CAS Registry Number	104283-18-3
Copyright	Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass	264.136159120 u
Formula	C15H20O4
InChI	InChI=1S/C15H20O4/c1-5-9(2)15(16)19-13-7-6-11(17-4)8-12(13)14-10(3)18-14/h6-10,14H,5H2,1-4H3
InChIKey	VXWVNVFBEJTTKA-UHFFFAOYSA-N
Molecular Weight	264.321 g/mol
Number of Peaks	50
RI1	1898
SMILES	COc1ccc(c(c1)C1OC1C)OC(C(CC)C)=O
SPLASH	splash10-0bti-8900000000-0efa4b2ad836c77655ec
Sample Comments	RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum	Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms	Butanoic acid, 2-methyl-, methoxy(3-methyloxiranyl)phenyl ester
Wiley ID	LM_FFNSC3_2100