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2-(But-3-ynyl)-5-methylhex-4-enoic acid
SpectraBase Compound ID JvYsRBvc9tx
InChI InChI=1S/C11H16O2/c1-4-5-6-10(11(12)13)8-7-9(2)3/h1,7,10H,5-6,8H2,2-3H3,(H,12,13)
InChIKey UFRPWHAQZYNVSV-UHFFFAOYSA-N
Mol Weight 180.25 g/mol
Molecular Formula C11H16O2
Exact Mass 180.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ORu180JrBE
Name 2-(But-3-ynyl)-5-methylhex-4-enoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O2
InChI InChI=1S/C11H16O2/c1-4-5-6-10(11(12)13)8-7-9(2)3/h1,7,10H,5-6,8H2,2-3H3,(H,12,13)
InChIKey UFRPWHAQZYNVSV-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol9015578
Molecular Weight 180.247 g/mol
SMILES OC(=O)C(CCC#C)CC=C(C)C
SPLASH splash10-0006-9000000000-52e3610596bdab2607ad
Source of Spectrum A1-11-4084/SMS9-15i
Synonyms 2-(but-3-yn-1-yl)-5-methylhex-4-enoic acid
Wiley ID 1757285