| SpectraBase Spectrum ID |
db3aBIH4HT |
| Name |
2-[(1S,2S)-2-bromo-1-ethyl-dodeca-4,7-dien-10-ynoxy]-6-hept-5-ynyl-pyran-4-one |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
472.161307920 u |
| Formula |
C26H33BrO3 |
| InChI |
InChI=1S/C26H33BrO3/c1-4-7-9-11-12-13-15-17-19-24(27)25(6-3)30-26-21-22(28)20-23(29-26)18-16-14-10-8-5-2/h11-12,15,17,20-21,24-25H,6,9-10,13-14,16,18-19H2,1-3H3/b12-11-,17-15-/t24-,25-/m0/s1 |
| InChIKey |
JZHRTRRCOLFKOK-YVEZPQPPSA-N |
| Instrument Name |
Finnigan MAT 8200 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201500437 |
| Molecular Weight |
473.451 g/mol |
| Quality |
455 |
| Reported Formula |
C26H33O3Br |
| SMILES |
C=1C(C=C(OC1O[C@]([C@](C\C=C/C\C=C/CC#CC)(Br)[H])(CC)[H])CCCCC#CC)=O |
| SPLASH |
splash10-0a5c-7920000000-0f741e78c37b12125b25 |
| Source of Spectrum |
QE-21-SM12-syn-25 (DOI: 10.1002/chem.201500437) |
| Wiley ID |
1906364 |
![2-[(1S,2S)-2-bromo-1-ethyl-dodeca-4,7-dien-10-ynoxy]-6-hept-5-ynyl-pyran-4-one](/api/spectrum/db3aBIH4HT/structure.png?h=300&w=458 "2-[(1S,2S)-2-bromo-1-ethyl-dodeca-4,7-dien-10-ynoxy]-6-hept-5-ynyl-pyran-4-one")
