| SpectraBase Spectrum ID |
CDqfFQjYTtl |
| Name |
Methyl pimarate |
| CAS Registry Number |
3730-56-1 |
| 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 |
316.240230268 u |
| Formula |
C21H32O2 |
| InChI |
InChI=1S/C21H32O2/c1-6-19(2)13-10-16-15(14-19)8-9-17-20(16,3)11-7-12-21(17,4)18(22)23-5/h6,14,16-17H,1,7-13H2,2-5H3/t16-,17+,19+,20+,21+/m0/s1 |
| InChIKey |
BGCXKCIPDDNDEV-MIGBRYPXSA-N |
| Molecular Weight |
316.485 g/mol |
| Number of Peaks |
50 |
| RI1 |
2238 |
| SMILES |
C1CC[C@@]2([C@]3(CC[C@@](C=C)(C=C3CC[C@]2([C@]1(C)C(=O)OC)[H])C)[H])C |
| SPLASH |
splash10-05fu-5910000000-ede6caab1425a5fdd578 |
| 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 |
1-Phenanthrenecarboxylic acid, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a,7-trimethyl-, methyl ester |
| Wiley ID |
LM_FFNSC3_2845 |
