| SpectraBase Spectrum ID |
GQTOBYyBoZx |
| Name |
2-Chloro-7-(S-1,2-isopropylidenglycer-3-O-yl)-10,11-dihydro-dibenzo[a,d]cyclohepten-5-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H21ClO4 |
| InChI |
InChI=1S/C21H21ClO4/c1-21(2)25-12-17(26-21)11-24-16-7-5-13-3-4-14-9-15(22)6-8-18(14)20(23)19(13)10-16/h5-10,17H,3-4,11-12H2,1-2H3/t17-/m0/s1 |
| InChIKey |
ADANUOPKCCNVTF-KRWDZBQOSA-N |
| Instrument Name |
Hewlett-Packard 6890-5973 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jm300327h |
| Molecular Weight |
372.848 g/mol |
| SMILES |
C1Cc2cc(Cl)ccc2C(=O)c2cc(OC[C@]3(COC(O3)(C)C)[H])ccc12 |
| SPLASH |
splash10-0fr2-1943000000-639de29e9b0a931c67a9 |
| Source of Spectrum |
AF-55-SM12-10d |
| Wiley ID |
1852009 |
![2-Chloro-7-(S-1,2-isopropylidenglycer-3-O-yl)-10,11-dihydro-dibenzo[a,d]cyclohepten-5-one](/api/spectrum/GQTOBYyBoZx/structure.png?h=300&w=458 "2-Chloro-7-(S-1,2-isopropylidenglycer-3-O-yl)-10,11-dihydro-dibenzo[a,d]cyclohepten-5-one")
