| SpectraBase Spectrum ID |
1TR7Yp2Jq0a |
| Name |
Caryophyllene <(E)-> |
| CAS Registry Number |
13877-93-5 |
| 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 |
| 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-FLFDDASRSA-N |
| Molecular Weight |
204.357 g/mol |
| Number of Peaks |
50 |
| RI1 |
1424 |
| RI2 |
1103 |
| SMILES |
[C@]12([C@@](C(CC\C=C/(CC2)C)=C)(CC1(C)C)[H])[H] |
| SPLASH |
splash10-0006-9500000000-c1fe976de982bb325a7f |
| Sample Comments |
RI1: measured on SLB-5ms (Hydro)
RI2: measured on SLB-5ms (FAMEs)
RI3: measured on Supelcowax-10 (FAMEs)
RI4: measured on Supelcowax-10 (FAEEs)
RI5: measured on Equity-1 (Hydro) |
| Source of Spectrum |
Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
| Synonyms |
Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene- |
| Wiley ID |
LM_FFNSC3_1206 |
![CARYOPHYLLENE;(1R,9S,4E)-4,11,11-TRIMETHYL-8-METHYLIDENE-BICYCLO-[7.2.0]-UNDEC-4-ENE;CONFORMER-22A](/api/spectrum/1TR7Yp2Jq0a/structure.png?h=300&w=458 "CARYOPHYLLENE;(1R,9S,4E)-4,11,11-TRIMETHYL-8-METHYLIDENE-BICYCLO-[7.2.0]-UNDEC-4-ENE;CONFORMER-22A")
