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3-Heptyne-2,5-diol, 6-methyl-5-(1-methylethyl)-, 2-acetate
SpectraBase Compound ID 69RoEHocYI5
InChI InChI=1S/C13H22O3/c1-9(2)13(15,10(3)4)8-7-11(5)16-12(6)14/h9-11,15H,1-6H3
InChIKey UBFSVILBKSBZQG-UHFFFAOYSA-N
Mol Weight 226.32 g/mol
Molecular Formula C13H22O3
Exact Mass 226.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hgu7cMXIaKB
Name 3-Heptyne-2,5-diol, 6-methyl-5-(1-methylethyl)-, 2-acetate
CAS Registry Number 63922-39-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O3
InChI InChI=1S/C13H22O3/c1-9(2)13(15,10(3)4)8-7-11(5)16-12(6)14/h9-11,15H,1-6H3
InChIKey UBFSVILBKSBZQG-UHFFFAOYSA-N
Molecular Weight 226.316 g/mol
SMILES OC(C(C)C)(C(C)C)C#CC(C)OC(C)=O
SPLASH splash10-007o-9500000000-0e4e9c110791223ebade
Synonyms 4-Hydroxy-4-isopropyl-1,5-dimethyl-2-hexynyl acetate (4-hydroxy-4-isopropyl-1,5-dimethyl-hex-2-ynyl) acetate (5-hydroxy-6-methyl-5-propan-2-ylhept-3-yn-2-yl) acetate (6-methyl-5-oxidanyl-5-propan-2-yl-hept-3-yn-2-yl) ethanoate Acetic acid (4-hydroxy-4-isopropyl-1,5-dimethyl-hex-2-ynyl) ester Acetic acid (5-hydroxy-6-methyl-5-propan-2-ylhept-3-yn-2-yl) ester
Wiley ID 1489978