| SpectraBase Spectrum ID |
I5a2OIDZ6kU |
| Name |
2-[(3S,5R,8S)-3,8-Dimethyl-1-oxo-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]prop-2-enal |
| Appearance |
Colorless liquid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H20O2 |
| InChI |
InChI=1S/C15H20O2/c1-9-4-5-12(11(3)8-16)7-13-10(2)6-14(17)15(9)13/h8-10,12H,3-7H2,1-2H3/t9-,10-,12+/m0/s1 |
| InChIKey |
QOPUGCDWFVTHPD-JBLDHEPKSA-N |
| Instrument Name |
Agilent Technologies 6890-5973N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np500819f |
| Molecular Weight |
232.323 g/mol |
| Reported Formula |
C15H20O2 |
| SMILES |
C1(C[C@](C)(C2=C1[C@](CC[C@](C2)(C(=C)C=O)[H])(C)[H])[H])=O |
| SPLASH |
splash10-057m-3930000000-e5b8d62fad28d51f85f5 |
| Source of Spectrum |
G4-78-142-14 |
| Wiley ID |
1865816 |
![2-[(3S,5R,8S)-3,8-Dimethyl-1-oxo-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]prop-2-enal](/api/spectrum/I5a2OIDZ6kU/structure.png?h=300&w=458 "2-[(3S,5R,8S)-3,8-Dimethyl-1-oxo-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]prop-2-enal")
