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2-Cyclohexen-1-ol, 2-(3-hydroxy-3-methyl-1-butynyl)-, 1-acetate

View entire compound with spectra: 1 MS (GC)

2-Cyclohexen-1-ol, 2-(3-hydroxy-3-methyl-1-butynyl)-, 1-acetate
SpectraBase Compound ID 9VJX2ZheuDR
InChI InChI=1S/C13H18O3/c1-10(14)16-12-7-5-4-6-11(12)8-9-13(2,3)15/h6,12,15H,4-5,7H2,1-3H3
InChIKey DNNWRVOUMRUUQS-UHFFFAOYSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K9DipttenJG
Name 2-Cyclohexen-1-ol, 2-(3-hydroxy-3-methyl-1-butynyl)-, 1-acetate
Alternate Name(s) 2-(3-Hydroxy-3-methyl-1-butynyl)-2-cyclohexen-1-ol,1-acetate 2-(3-hydroxy-3-methyl-1-butynyl)-2-cyclohexen-1-yl acetate
CAS Registry Number 93338-77-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-10(14)16-12-7-5-4-6-11(12)8-9-13(2,3)15/h6,12,15H,4-5,7H2,1-3H3
InChIKey DNNWRVOUMRUUQS-UHFFFAOYSA-N
Molecular Weight 222.284 g/mol
SMILES OC(C#CC=1C(OC(=O)C)CCCC1)(C)C
SPLASH splash10-0007-9700000000-cdae032fbe49623e5f55
Source of Spectrum J-50-3908-29
Wiley ID 1222603