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Isoamyl isovalerate
SpectraBase Compound ID 9FoffEZIJy
InChI InChI=1S/C10H20O2/c1-8(2)5-6-12-10(11)7-9(3)4/h8-9H,5-7H2,1-4H3
InChIKey XINCECQTMHSORG-UHFFFAOYSA-N
Mol Weight 172.27 g/mol
Molecular Formula C10H20O2
Exact Mass 172.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID oOwa7u9WJb
Name Butanoic acid, 3-methyl-, 3-methylbutyl ester
CAS Registry Number 659-70-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H20O2
InChI InChI=1S/C10H20O2/c1-8(2)5-6-12-10(11)7-9(3)4/h8-9H,5-7H2,1-4H3
InChIKey XINCECQTMHSORG-UHFFFAOYSA-N
Molecular Weight 172.268 g/mol
SMILES CC(CCOC(=O)CC(C)C)C
SPLASH splash10-05fu-9000000000-cea02b1c701c1326f887
Source of Spectrum HE-1986-1899-0
Synonyms 3-Methylbutanoic acid 3-methylbutyl ester 3-Methylbutyl 3-methylbutanoate Isopentyl 3-methylbutanoate 3-Methylbutyl 3-methylbutyrate 3-Methylbutyl isovalerate 3-Methylbutyric acid isoamyl ester Apple essence Isopentyl alcohol, isovalerate Apple oil Isovaleric acid, isopentyl ester iso-Amyl iso-valerate Isoamyl 3-methylbutanoate Isoamyl 3-methylbutyrate Isoamyl isopentanoate Isoamyl isovalerianate Isoamyl valerianate Isopentyl isopentanoate Isopentyl 3-methylbutyrate Isopentyl isovalerate Solusterol AI3-06045 BRN 1753884 CCRIS 1348 EINECS 211-536-1 FEMA NO. 2085 NSC 6565
Wiley ID 1169050