| SpectraBase Spectrum ID |
80FPfX0BQ1r |
| Name |
Aristolone |
| CAS Registry Number |
6831-17-0 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H22O |
| GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m film thickness) |
| GC Oven Program |
60 ??C to 246 ??C at 3 ??C/min. |
| InChI |
InChI=1S/C15H22O/c1-9-6-5-7-10-8-11(16)12-13(14(12,2)3)15(9,10)4/h8-9,12-13H,5-7H2,1-4H3/t9-,12-,13+,15+/m1/s1 |
| InChIKey |
UGVIZCBJCSXBCJ-JWFUOXDNSA-N |
| Molecular Weight |
218.340 g/mol |
| SMILES |
[C@]12(C)[C@]3([C@@](C(C=C2CCC[C@]1(C)[H])=O)(C3(C)C)[H])[H] |
| SPLASH |
splash10-00mo-6920000000-17abbccca53090ba6a57 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
1885866 |
