| SpectraBase Spectrum ID |
5x45ESBaFgD |
| Name |
(+)-(2S,6S,7S)-Sesquithujene |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H24 |
| InChI |
InChI=1S/C15H24/c1-11(2)6-5-7-13(4)15-9-8-12(3)14(15)10-15/h6,8,13-14H,5,7,9-10H2,1-4H3/t13-,14-,15-/m0/s1 |
| InChIKey |
UCQHFDKBUHCAFR-KKUMJFAQSA-N |
| Instrument Name |
Agilent Technologies 6890N-5973 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np200098z |
| Molecular Weight |
204.357 g/mol |
| Optical Rotation |
[a]D25 = +8.50 (c = 0.65, CH2Cl2) |
| SMILES |
CC(=CCC[C@](C)([C@@]12C[C@]2(C(C)=CC1)[H])[H])C |
| SPLASH |
splash10-00kf-9500000000-c20fe4b0e2c952876343 |
| Source of Spectrum |
G4-74-1420-17 |
| Wiley ID |
1849179 |
