SpectraBase Spectrum ID |
D0NeZVGQ1Cp |
Name |
Thujopsene |
Source of Sample |
SAFC Cat.no. W276618 |
CAS Registry Number |
470-40-6 |
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 |
204.187800773 u |
Formula |
C15H24 |
InChI |
InChI=1S/C15H24/c1-11-6-9-14(4)8-5-7-13(2,3)15(14)10-12(11)15/h6,12H,5,7-10H2,1-4H3/t12-,14-,15-/m0/s1 |
InChIKey |
WXQGPFZDVCRBME-QEJZJMRPSA-N |
Molecular Weight |
204.357 g/mol |
Number of Peaks |
50 |
RI1 |
1433 |
RI2 |
1112 |
SMILES |
C1CC[C@@]2([C@]3(C1(C)C)[C@](C(=CC2)C)(C3)[H])C |
SPLASH |
splash10-0avl-7900000000-6be7d1512bc647d29b35 |
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,4,4a,5,6,7,8-octahydro-2,4a,8,8-tetramethyl-, (1aS,4aS,8aS)- |
Wiley ID |
LM_FFNSC3_1049 |