| SpectraBase Spectrum ID |
L9EqZspHXRM |
| Name |
Caryophyllene(E-) |
| CAS Registry Number |
87-44-5 |
| 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/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14-/m1/s1 |
| InChIKey |
NPNUFJAVOOONJE-GFUGXAQUSA-N |
| Molecular Weight |
204.357 g/mol |
| Nominal Mass |
204 u |
| Number of Peaks |
145 |
| SMILES |
C1(C)(C)[C@]2([C@](C1)(C(=C)CC\C=C\(CC2)C)[H])[H] |
| SPLASH |
splash10-0006-9500000000-d3487082f938659b6c38 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000279 |
![(E)-(1R,9S)-(-)-8-methylene-4,11,11-trimethylbicyclo[7.2.0]undec-4-ene](/api/spectrum/L9EqZspHXRM/structure.png?h=300&w=458 "(E)-(1R,9S)-(-)-8-methylene-4,11,11-trimethylbicyclo[7.2.0]undec-4-ene")
