| SpectraBase Spectrum ID |
19PuEuSNT7A |
| Name |
Patchouli alcohol |
| CAS Registry Number |
5986-55-0 |
| 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 |
222.198365456 u |
| Formula |
C15H26O |
| InChI |
InChI=1S/C15H26O/c1-10-5-8-15(16)13(2,3)11-6-7-14(15,4)12(10)9-11/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14-,15+/m0/s1 |
| InChIKey |
GGHMUJBZYLPWFD-CUZKYEQNSA-N |
| Molecular Weight |
222.372 g/mol |
| Number of Peaks |
50 |
| RI1 |
1668 |
| RI2 |
1345 |
| SMILES |
O[C@@]12C([C@@]3(CC[C@]2([C@@](C3)([C@](CC1)(C)[H])[H])C)[H])(C)C |
| SPLASH |
splash10-00lv-9400000000-b094aff62403da81417a |
| 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 |
Methanonaphthalen-1(2H)-ol <1,6-, octahydro-, 4,8a,9,9-tetramethyl-, (1R,4S,4aS,6R,8aS)-> |
| Wiley ID |
LM_FFNSC3_1802 |
