| SpectraBase Spectrum ID |
GPTFjqMy4nx |
| Name |
Italicene |
| CAS Registry Number |
94535-52-1 |
| 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/c1-10-7-8-15-11(2)5-6-12(15)14(3,4)13(15)9-10/h9,11-13H,5-8H2,1-4H3/t11-,12+,13+,15+/m0/s1 |
| InChIKey |
BWAXOYJGXIEEOE-KYEXWDHISA-N |
| Molecular Weight |
204.357 g/mol |
| Nominal Mass |
204 u |
| Number of Peaks |
144 |
| SMILES |
[C@]123[C@](C=C(CC3)C)(C([C@]1(CC[C@@]2(C)[H])[H])(C)C)[H] |
| SPLASH |
splash10-00kf-7910000000-297883b125000cf47595 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000793 |
