| SpectraBase Spectrum ID |
51nuJX7rSL6 |
| Name |
Herbanate isomer I |
| Source of Sample |
Standard L'Oreal |
| CAS Registry Number |
116126-82-0 |
| 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 |
208.146329882 u |
| Formula |
C13H20O2 |
| InChI |
InChI=1S/C13H20O2/c1-4-15-13(14)12-10-6-5-9(7-10)11(12)8(2)3/h5-6,8-12H,4,7H2,1-3H3 |
| InChIKey |
HJEFAEQTNTXLHL-UHFFFAOYSA-N |
| Molecular Weight |
208.301 g/mol |
| Number of Peaks |
50 |
| RI1 |
1362 |
| RI2 |
1040 |
| SMILES |
CC(C)C1C(C2C=CC1C2)C(=O)OCC |
| SPLASH |
splash10-014l-9400000000-df80671145dbf708fc7b |
| 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[2.2.1]hept-5-ene-2-carboxylic acid, 3-(1-methylethyl)-, ethyl ester |
| Wiley ID |
LM_FFNSC3_3013 |
