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Phenethyl isovalerate
SpectraBase Compound ID 6sUnVTo7dqI
InChI InChI=1S/C13H18O2/c1-11(2)10-13(14)15-9-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
InChIKey JIMGVOCOYZFDKB-UHFFFAOYSA-N
Mol Weight 206.28 g/mol
Molecular Formula C13H18O2
Exact Mass 206.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1y56KLEJcW
Name Butanoic acid, 3-methyl-, 2-phenylethyl ester
Alternate Name(s) .beta.-Phenylethyl isovalerate 2-Phenylethyl 3-methylbutanoate 2-Phenylethyl 3-methylbutirate 2-Phenylethyl isovalerate 3-Methylbutyric acid phenethyl ester Benzylcarbinyl 3-methylbutanoate Benzylcarbinyl isopentanoate Benzylcarbinyl isovalerate Isovaleric acid, phenethyl ester phenethyl 3-methylbutanoate Phenethyl 3-methylbutyrate Phenethyl isovalerate Phenethyl isovalerianate phenylethyl 3-methylbutyrate Phenylethyl iso-valerate AI3-30606 BRN 2504902 EINECS 205-406-3 FEMA NO. 2871 NSC 21899
CAS Registry Number 140-26-1
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Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-11(2)10-13(14)15-9-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
InChIKey JIMGVOCOYZFDKB-UHFFFAOYSA-N
Molecular Weight 206.285 g/mol
SMILES C(=O)(OCCc1ccccc1)CC(C)C
SPLASH splash10-0pb9-9600000000-3b168a3b3b103fe0d0bd
Source of Spectrum LQ-1992-1547-0
Wiley ID 1204615