| SpectraBase Spectrum ID |
4Q9NX6q2sba |
| Name |
5.alpha.,7.alpha.,10.beta.H-3-Patchoulen-2-one |
| Appearance |
Yellowish oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H22O |
| InChI |
InChI=1S/C15H22O/c1-9-7-13(16)15-10(2)5-6-11(8-12(9)15)14(15,3)4/h7,10-12H,5-6,8H2,1-4H3/t10-,11-,12+,15+/m1/s1 |
| InChIKey |
BSDFKVHDDFHAFR-FJJYHAOUSA-N |
| Instrument Name |
JEOL JMS-AX 505 HA |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np030485f |
| Molecular Weight |
218.340 g/mol |
| Optical Rotation |
[a]D25 = -53.9 (c = 3.6, CHCl3) |
| Reported Formula |
C15H22O |
| SMILES |
[C@@]123[C@@](C[C@@](CC[C@]3(C)[H])(C1(C)C)[H])(C(=CC2=O)C)[H] |
| SPLASH |
splash10-02vr-2940000000-53ccf49ac063b86334d0 |
| Source of Spectrum |
G4-67-916-1 |
| Wiley ID |
1884016 |
