| SpectraBase Spectrum ID |
BiMWM3eTgPK |
| Name |
(1S,4S)-(-)-cis-4-thujanol |
| Carrier Gas |
Helium |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C10H18O |
| GC Oven Program |
Oven temp 200oC |
| InChI |
InChI=1S/C10H18O/c1-7(2)10-5-4-9(3,11)8(10)6-10/h7-8,11H,4-6H2,1-3H3/t8-,9-,10-/m0/s1 |
| InChIKey |
KXSDPILWMGFJMM-GUBZILKMSA-N |
| Instrument Name |
Agilent 6890-5973 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.jnatprod.0c00669 |
| Molecular Weight |
154.253 g/mol |
| Optical Rotation |
[a]D23 = -40 (c = 0.5, DCM) |
| SMILES |
O[C@]1(CC[C@]2(C[C@@]12[H])C(C)C)C |
| SPLASH |
splash10-022c-9300000000-b6fe32746b79dd261f93 |
| Sample Comments |
ee = 91% |
| Source of Spectrum |
G4-83-SM21-13 |
| Wiley ID |
1876858 |
