| SpectraBase Spectrum ID |
BKATIOOeV3 |
| Name |
Guaiazulene |
| CAS Registry Number |
489-84-9 |
| 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 |
198.140850580 u |
| Formula |
C15H18 |
| InChI |
InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3 |
| InChIKey |
FWKQNCXZGNBPFD-UHFFFAOYSA-N |
| Molecular Weight |
198.309 g/mol |
| Number of Peaks |
50 |
| RI1 |
1780 |
| SMILES |
Cc1ccc2c1cc(C(C)C)ccc2C |
| SPLASH |
splash10-001j-0900000000-7f0dfa5a273b5dc745fd |
| 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 |
Azulene, 1,4-dimethyl-7-(1-methylethyl)- |
| Wiley ID |
LM_FFNSC3_2331 |
