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(3S,5Z)-3-Hydroxy-2,2-dimethyl-non-5-en-7-ynoic acid methyl ester
SpectraBase Compound ID m48qHKgxDK
InChI InChI=1S/C12H18O3/c1-5-6-7-8-9-10(13)12(2,3)11(14)15-4/h7-8,10,13H,9H2,1-4H3/b8-7-/t10-/m0/s1
InChIKey KRMIQVHGRHZBCK-DMEOUFDRSA-N
Mol Weight 210.27 g/mol
Molecular Formula C12H18O3
Exact Mass 210.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Hk4ISjVaqt
Name (3S,5Z)-3-Hydroxy-2,2-dimethyl-non-5-en-7-ynoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O3
InChI InChI=1S/C12H18O3/c1-5-6-7-8-9-10(13)12(2,3)11(14)15-4/h7-8,10,13H,9H2,1-4H3/b8-7-/t10-/m0/s1
InChIKey KRMIQVHGRHZBCK-DMEOUFDRSA-N
Literature Reference DOI 10.1002/anie.201501922
Molecular Weight 210.273 g/mol
SMILES O[C@@](C\C=C/C#CC)(C(C)(C(OC)=O)C)[H]
SPLASH splash10-0ue9-0900000000-2473d13a5b84207c0d53
Source of Spectrum ACI-54-7086/SMS14-23
Synonyms (S,Z)-methyl 3-hydroxy-2,2-dimethylnon-5-en-7-ynoate
Wiley ID 1761222