| SpectraBase Spectrum ID |
4oFGQeCndwJ |
| Name |
Thujopsadiene |
| CAS Registry Number |
51446-91-4 |
| Copyright |
Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
202.172150708 u |
| Formula |
C15H22 |
| InChI |
InChI=1S/C15H22/c1-11-6-9-14(4)8-5-7-13(2,3)15(14)10-12(11)15/h6,9,12H,1,5,7-8,10H2,2-4H3/t12-,14-,15-/m0/s1 |
| InChIKey |
XOPQCMQCJQEISN-QEJZJMRPSA-N |
| Molecular Weight |
202.341 g/mol |
| Number of Peaks |
50 |
| RI1 |
1467 |
| SMILES |
C1[C@@]2([C@@]3([C@](C(C=C2)=C)(C3)[H])C(CC1)(C)C)C |
| SPLASH |
splash10-015c-5900000000-e1a75c2ea16062d0b6fe |
| 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 |
Cyclopropa[d]naphthalene, 1,1a,2,4a,5,6,7,8-octahydro-4a,8,8-trimethyl-2-methylene- |
| Wiley ID |
LM_FFNSC3_2350 |
