| SpectraBase Spectrum ID |
J653PqcErTg |
| Name |
cis-4-(4-Chlorophenyl)-5-[.alpha.-ethoxy(4-methylbenzyl)]-3-oxacyclo[3.1.0]hexane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.138657679 u |
| Formula |
C21H23ClO2 |
| InChI |
InChI=1S/C21H23ClO2/c1-3-23-19(15-6-4-14(2)5-7-15)21-12-17(21)13-24-20(21)16-8-10-18(22)11-9-16/h4-11,17,19-20H,3,12-13H2,1-2H3/t17-,19+,20?,21+/m0/s1 |
| InChIKey |
WGUFFNGIFSNOBA-JGAVHMGFSA-N |
| Molecular Weight |
342.866 g/mol |
| SMILES |
[C@@]12([C@](COC2C2=CC=C(C=C2)Cl)(C1)[H])[C@@](C=1C=CC(=CC1)C)(OCC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956339 |
![cis-4-(4-Chlorophenyl)-5-[.alpha.-ethoxy(4-methylbenzyl)]-3-oxacyclo[3.1.0]hexane](/api/spectrum/J653PqcErTg/structure.png?h=300&w=458 "cis-4-(4-Chlorophenyl)-5-[.alpha.-ethoxy(4-methylbenzyl)]-3-oxacyclo[3.1.0]hexane")
