| SpectraBase Spectrum ID |
I0j8M0qcbd8 |
| Name |
Cedranone |
| CAS Registry Number |
13567-40-3 |
| 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/c1-9-5-6-13-14(3,4)11-7-15(9,13)8-12(16)10(11)2/h9-11,13H,5-8H2,1-4H3/t9-,10-,11+,13+,15-/m1/s1 |
| InChIKey |
CHPQWDBBFXQHQC-RXHHHXIQSA-N |
| Molecular Weight |
220.356 g/mol |
| Number of Peaks |
50 |
| RI1 |
1626 |
| RI2 |
1304 |
| SMILES |
[C@]12([C@](C(C[C@]3([C@](C2(C)C)(CC[C@]3(C)[H])[H])C1)=O)(C)[H])[H] |
| SPLASH |
splash10-0a4i-9830000000-47e59a721f01e45f6255 |
| 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 |
1H-3a,7-Methanoazulen-5(4H)-one, hexahydro-3,6,8,8-tetramethyl-, (3R,3aR,6R,7S,8aS)- |
| Wiley ID |
LM_FFNSC3_1796 |
