| SpectraBase Spectrum ID |
IlQhmqkczg8 |
| Name |
Aristolochene |
| CAS Registry Number |
26620-71-3 |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
204.187800773 u |
| Formula |
C15H24 |
| GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness) |
| GC Oven Program |
60 °C to 246 °C at 3 °C/min. |
| InChI |
InChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h9,12-13H,1,5-8,10H2,2-4H3/t12-,13-,15+/m1/s1 |
| InChIKey |
YONHOSLUBQJXPR-NFAWXSAZSA-N |
| Molecular Weight |
204.357 g/mol |
| Nominal Mass |
204 u |
| Number of Peaks |
106 |
| SMILES |
[C@@]1(CCCC=2[C@]1(C[C@@](CC2)(C(=C)C)[H])C)(C)[H] |
| SPLASH |
splash10-052o-6900000000-519ff22946669c85cfe8 |
| Source |
CPD ex JAN DEMYTTENAERE |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000103 |
