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5-tert-BUTYL-6-METHYLHEPT-3-YNE-2,5-DIOL

View entire compound with spectra: 2 MS (GC)

5-tert-BUTYL-6-METHYLHEPT-3-YNE-2,5-DIOL
SpectraBase Compound ID prPn5tc8oz
InChI InChI=1S/C12H22O2/c1-9(2)12(14,11(4,5)6)8-7-10(3)13/h9-10,13-14H,1-6H3
InChIKey HOVLFGGMFWVSMD-UHFFFAOYSA-N
Mol Weight 198.31 g/mol
Molecular Formula C12H22O2
Exact Mass 198.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LqUL3VvqzXF
Name 5-Isopropyl-6,6-dimethyl-3-heptyne-2,5-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O2
InChI InChI=1S/C12H22O2/c1-9(2)12(14,11(4,5)6)8-7-10(3)13/h9-10,13-14H,1-6H3
InChIKey HOVLFGGMFWVSMD-UHFFFAOYSA-N
Molecular Weight 198.306 g/mol
SMILES OC(C#CC(O)C)(C(C)(C)C)C(C)C
SPLASH splash10-0006-9300000000-bb4319ac1fba99df94e8
Synonyms 5-isopropyl-6,6-dimethyl-hept-3-yne-2,5-diol 6,6-Dimethyl-5-propan-2-yl-3-heptyne-2,5-diol 6,6-Dimethyl-5-propan-2-yl-hept-3-yne-2,5-diol
Wiley ID 1480571