| SpectraBase Spectrum ID |
Je2aCFK5tue |
| Name |
cis-2,3-Diphenylcyclohexano-14-crown-4 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H34O4 |
| InChI |
InChI=1S/C26H34O4/c1-3-11-23(12-4-1)25-15-7-8-16-26(25,24-13-5-2-6-14-24)30-20-10-18-28-22-21-27-17-9-19-29-25/h1-6,11-14H,7-10,15-22H2/t25-,26+ |
| InChIKey |
BBYORKKHFUUXBR-WMPKNSHKSA-N |
| Molecular Weight |
410.554 g/mol |
| SMILES |
[C@@]12([C@](OCCCOCCOCCCO2)(c2ccccc2)CCCC1)c1ccccc1 |
| SPLASH |
splash10-0a4i-0900000000-8bfdac1af249cf1ba648 |
| Source of Spectrum |
KC-0-491-5 |
| Synonyms |
(12aR,16aS)-12a,16a-diphenyldodecahydro-2H,9H-1,5,8,12-benzotetraoxacyclotetradecin |
| Wiley ID |
824386 |
