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Butanoic acid, 3-methyl-, 3-methyl-3-butenyl ester
SpectraBase Compound ID 1HEsBwRuBUT
InChI InChI=1S/C10H18O2/c1-8(2)5-6-12-10(11)7-9(3)4/h9H,1,5-7H2,2-4H3
InChIKey TYOOXFQTUDXXCL-UHFFFAOYSA-N
Mol Weight 170.25 g/mol
Molecular Formula C10H18O2
Exact Mass 170.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9j04Hgq0HnE
Name Butanoic acid, 3-methyl-, 3-methyl-3-butenyl ester
CAS Registry Number 54410-94-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H18O2
InChI InChI=1S/C10H18O2/c1-8(2)5-6-12-10(11)7-9(3)4/h9H,1,5-7H2,2-4H3
InChIKey TYOOXFQTUDXXCL-UHFFFAOYSA-N
Molecular Weight 170.252 g/mol
SMILES C(CC(C)C)(=O)OCCC(=C)C
SPLASH splash10-014i-9000000000-930c921d033067d86588
Source of Spectrum JX-2015-6-4179
Synonyms 3-Methyl-3-butenyl isovalerate 3-Methyl-3-butenyl 3-methylbutanoate 3-Methylbut-3-enyl 3-methylbutanoate 3-Methylbut-3-enyl isovalerate 3-Methylbutanoic acid 3-methylbut-3-enyl ester 3-Methylbutyric acid 3-methylbut-3-enyl ester 3-Methyl-3-buten-1-yl 3-methylbutanoate 3-Methyl-but-3-enyl isovalerate 3-Methylbutanoic acid, 3-methyl-3-butenyl ester 3-Methylbut-3-en-1-yl 3-methylbutanoate EINECS 259-156-5
Wiley ID 1728767