| SpectraBase Spectrum ID |
29a9pRff7tC |
| Name |
Canellal |
| CAS Registry Number |
66550-09-2 |
| 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 |
248.141244501 u |
| Formula |
C15H20O3 |
| InChI |
InChI=1S/C15H20O3/c1-10-6-7-14(3)13(11(10)2)5-4-12(8-16)15(14,18)9-17/h4,8-10,13,18H,2,5-7H2,1,3H3/t10-,13-,14-,15+/m0/s1 |
| InChIKey |
LDAIOVKPAKFZHM-FBUXBERBSA-N |
| Molecular Weight |
248.322 g/mol |
| Number of Peaks |
50 |
| RI1 |
2048 |
| SMILES |
O[C@@]1(C(C=O)=CC[C@]2(C(=C)[C@@](C)(CC[C@]12C)[H])[H])C=O |
| SPLASH |
splash10-014l-7950000000-c8933d2c6a9e7752ef40 |
| 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 |
1,2-Naphthalenedicarboxaldehyde, 1,4,4a,5,6,7,8,8a-octahydro-1-hydroxy-6,8a-dimethyl-5-methylene- |
| Wiley ID |
LM_FFNSC3_2485 |
