| SpectraBase Spectrum ID |
LMMzsoG4lJG |
| Name |
Nepetalactone |
| CAS Registry Number |
21651-62-7 |
| 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 |
166.099379689 u |
| Formula |
C10H14O2 |
| InChI |
InChI=1S/C10H14O2/c1-6-3-4-8-7(2)5-12-10(11)9(6)8/h5-6,8-9H,3-4H2,1-2H3/t6-,8+,9+/m0/s1 |
| InChIKey |
ZDKZHVNKFOXMND-NBEYISGCSA-N |
| Molecular Weight |
166.220 g/mol |
| Number of Peaks |
50 |
| RI1 |
1365 |
| RI2 |
1043 |
| SMILES |
C=1OC([C@]2([C@@](C1C)(CC[C@@]2(C)[H])[H])[H])=O |
| SPLASH |
splash10-0159-9400000000-e83de2f7a781e18372f1 |
| 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 |
Cyclopenta[c]pyran-1(4aH)-one, 5,6,7,7a-tetrahydro-4,7-dimethyl-, (4aS,7S,7aR)- |
| Wiley ID |
LM_FFNSC3_1533 |
