| SpectraBase Spectrum ID |
JBdEWsnfkW3 |
| Name |
Calone |
| CAS Registry Number |
28940-11-6 |
| Copyright |
Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
178.062994179 u |
| Formula |
C10H10O3 |
| InChI |
InChI=1S/C10H10O3/c1-7-2-3-9-10(4-7)13-6-8(11)5-12-9/h2-4H,5-6H2,1H3 |
| InChIKey |
SWUIQEBPZIHZQS-UHFFFAOYSA-N |
| Molecular Weight |
178.187 g/mol |
| Number of Peaks |
39 |
| RI1 |
1407 |
| RI2 |
1086 |
| SMILES |
c12c(cc(cc2)C)OCC(CO1)=O |
| SPLASH |
splash10-00mo-9300000000-8f0060ee0c298f90837c |
| 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 |
2H-1,5-Benzodioxepin-3(4H)-one, 7-methyl- |
| Wiley ID |
LM_FFNSC3_1788 |
