| SpectraBase Spectrum ID |
DQ2ch40oy5i |
| Name |
Carvyl tiglate, trans- |
| CAS Registry Number |
1231958-75-0 |
| 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 |
234.161979946 u |
| Formula |
C15H22O2 |
| InChI |
InChI=1S/C15H22O2/c1-6-11(4)15(16)17-14-9-13(10(2)3)8-7-12(14)5/h6-7,13-14H,2,8-9H2,1,3-5H3/b11-6+/t13-,14+/m0/s1 |
| InChIKey |
XFUARDLOAHGCSA-QWAJQTJBSA-N |
| Molecular Weight |
234.339 g/mol |
| Number of Peaks |
50 |
| RI1 |
1629 |
| RI2 |
1308 |
| RI3 |
1451 |
| RI4 |
1412 |
| RI5 |
1660 |
| SMILES |
C\C(C(=O)O[C@]1(C(=CC[C@@](C1)(C(=C)C)[H])C)[H])=C/C |
| SPLASH |
splash10-001l-9200000000-327d08fd373fafcd477f |
| 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 |
2-Butenoic acid, 2-methyl-, (1R,5S)-2-methyl-5-(1-methylethenyl)-2-cyclohexen-1-yl ester, (2E)-rel |
| Wiley ID |
LM_FFNSC3_3407 |
