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Angelate <methylpentyl->
SpectraBase Compound ID 34JFY89wL1T
InChI InChI=1S/C11H20O2/c1-5-9(3)7-8-13-11(12)10(4)6-2/h6,9H,5,7-8H2,1-4H3/b10-6-
InChIKey UKYIGGARIIFOAB-POHAHGRESA-N
Mol Weight 184.28 g/mol
Molecular Formula C11H20O2
Exact Mass 184.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I06qVzyLcYK
Name Angelate
CAS Registry Number 53082-58-9
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 184.146329882 u
Formula C11H20O2
InChI InChI=1S/C11H20O2/c1-5-9(3)7-8-13-11(12)10(4)6-2/h6,9H,5,7-8H2,1-4H3/b10-6-
InChIKey UKYIGGARIIFOAB-POHAHGRESA-N
Molecular Weight 184.279 g/mol
Number of Peaks 49
RI1 1251
RI2 929
SMILES C(\C(=C/C)C)(=O)OCCC(CC)C
SPLASH splash10-0k9x-9200000000-dd308fbe6859c5022ef4
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 2-Butenoic acid, 2-methyl-, 3-methylpentyl ester, (2Z)-
Wiley ID LM_FFNSC3_1914