| SpectraBase Spectrum ID |
BOOK7htodRg |
| Name |
Myrtenate |
| CAS Registry Number |
30649-97-9 |
| 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 |
180.115029753 u |
| Formula |
C11H16O2 |
| InChI |
InChI=1S/C11H16O2/c1-11(2)7-4-5-8(9(11)6-7)10(12)13-3/h5,7,9H,4,6H2,1-3H3 |
| InChIKey |
HBIHNNBZGOVTTR-UHFFFAOYSA-N |
| Molecular Weight |
180.247 g/mol |
| Number of Peaks |
50 |
| RI1 |
1296 |
| RI2 |
974 |
| SMILES |
C1(C2CC=C(C1C2)C(OC)=O)(C)C |
| SPLASH |
splash10-052f-9400000000-c5c91d0dd7a6e4320c79 |
| 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[3.1.1]hept-2-ene-2-carboxylic acid, 6,6-dimethyl-, methyl ester |
| Wiley ID |
LM_FFNSC3_1738 |
