| SpectraBase Spectrum ID |
1NJKWsMjdLe |
| Name |
Thujopsanone <3-iso-> |
| CAS Registry Number |
25966-81-8 |
| 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 |
220.182715392 u |
| Formula |
C15H24O |
| InChI |
InChI=1S/C15H24O/c1-10-11-8-15(11)13(2,3)6-5-7-14(15,4)9-12(10)16/h10-11H,5-9H2,1-4H3/t10-,11+,14+,15+/m1/s1 |
| InChIKey |
LFWRAJWJODKLTN-PKIAMQTDSA-N |
| Molecular Weight |
220.356 g/mol |
| Number of Peaks |
50 |
| RI1 |
1646 |
| SMILES |
[C@@]12(CCCC([C@]22[C@]([C@](C(C1)=O)(C)[H])(C2)[H])(C)C)C |
| SPLASH |
splash10-074l-7900000000-340efa83dce5524c306b |
| 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]naphthalen-3(1H)-one, octahydro-2,4a,8,8-tetramethyl- |
| Wiley ID |
LM_FFNSC3_2772 |
