| SpectraBase Spectrum ID |
JKbZItaoBnz |
| Name |
Ambroxan |
| CAS Registry Number |
6790-58-5 |
| 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 |
236.214015521 u |
| Formula |
C16H28O |
| InChI |
InChI=1S/C16H28O/c1-14(2)8-5-9-15(3)12(14)6-10-16(4)13(15)7-11-17-16/h12-13H,5-11H2,1-4H3/t12-,13+,15-,16+/m0/s1 |
| InChIKey |
YPZUZOLGGMJZJO-LQKXBSAESA-N |
| Molecular Weight |
236.399 g/mol |
| Number of Peaks |
50 |
| RI1 |
1772 |
| RI2 |
1449 |
| RI3 |
1721 |
| RI4 |
1681 |
| RI5 |
1739 |
| SMILES |
C[C@]12OCC[C@@]1([C@]1(CCCC([C@@]1(CC2)[H])(C)C)C)[H] |
| SPLASH |
splash10-00dj-9340000000-71422ae8dbb3b719a0e6 |
| 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 |
Naphtho[2,1-b]furan, dodecahydro-3a,6,6,9a-tetramethyl-, (3aR,5aS,9aS,9bR) |
| Wiley ID |
LM_FFNSC3_3279 |
