| SpectraBase Spectrum ID |
3sdtvNd7xZ2 |
| Name |
Callitrin |
| CAS Registry Number |
66964-63-4 |
| 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 |
234.161979946 u |
| Formula |
C15H22O2 |
| InChI |
InChI=1S/C15H22O2/c1-6-15(5)8-13-11(7-12(15)9(2)3)10(4)14(16)17-13/h6,10-13H,1-2,7-8H2,3-5H3/t10-,11-,12-,13-,15+/m1/s1 |
| InChIKey |
HHMGIPSZHRMYCD-HVNMYJMUSA-N |
| Molecular Weight |
234.339 g/mol |
| Number of Peaks |
50 |
| RI1 |
1802 |
| SMILES |
CC([C@]1(C[C@]2([C@@](C[C@@]1(C=C)C)(OC([C@@]2(C)[H])=O)[H])[H])[H])=C |
| SPLASH |
splash10-014l-9500000000-bca65deab5afa37c1e17 |
| 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 |
2(3H)-Benzofuranone, 6-ethenylhexahydro-3,6-dimethyl-5-(1-methylethenyl)- |
| Wiley ID |
LM_FFNSC3_2455 |
