| SpectraBase Spectrum ID |
526Dn1XRPhF |
| Name |
2,3-Dihydro-5-[4E)-3-hydroxy-4-methyl-6-(2,6,6-trimethylcyclohexenyl)-4-hexen-1-ynyl]-5-methyl-1,4-dioxepin isomer |
| Alternate Name(s) |
(E)-4-methyl-1-(5-methyl-2,3-dihydro-1,4-dioxepin-5-yl)-6-(2,6,6-trimethyl-1-cyclohexenyl)-3-hex-4-en-1-ynol
(E)-4-methyl-1-(5-methyl-2,3-dihydro-1,4-dioxepin-5-yl)-6-(2,6,6-trimethylcyclohexen-1-yl)hex-4-en-1-yn-3-ol |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H32O3 |
| InChI |
InChI=1S/C22H32O3/c1-17-7-6-11-21(3,4)19(17)9-8-18(2)20(23)10-12-22(5)13-14-24-15-16-25-22/h8,13-14,20,23H,6-7,9,11,15-16H2,1-5H3/b18-8+ |
| InChIKey |
VPXQWWCWFOYTAT-QGMBQPNBSA-N |
| Molecular Weight |
344.495 g/mol |
| SMILES |
OC(C#CC1(C=COCCO1)C)\C(=C\CC1=C(CCCC1(C)C)C)C |
| SPLASH |
splash10-004i-0009000000-5f768b3afd1fdc66dd5c |
| Source of Spectrum |
QE-4-1742-10 |
| Wiley ID |
843638 |
![2,3-Dihydro-5-[4E)-3-hydroxy-4-methyl-6-(2,6,6-trimethylcyclohexenyl)-4-hexen-1-ynyl]-5-methyl-1,4-dioxepin isomer](/api/spectrum/526Dn1XRPhF/structure.png?h=300&w=458 "2,3-Dihydro-5-[4E)-3-hydroxy-4-methyl-6-(2,6,6-trimethylcyclohexenyl)-4-hexen-1-ynyl]-5-methyl-1,4-dioxepin isomer")
