| SpectraBase Spectrum ID |
6XvozRWArRU |
| Name |
cis-2-Phenylcyclohexano-14-crown-4 |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.214409442 u |
| Formula |
C20H30O4 |
| InChI |
InChI=1S/C20H30O4/c1-2-8-18(9-3-1)20-11-5-4-10-19(20)23-14-6-12-21-16-17-22-13-7-15-24-20/h1-3,8-9,19H,4-7,10-17H2/t19-,20-/m1/s1 |
| InChIKey |
HSVIWGLQXGVEMU-WOJBJXKFSA-N |
| Molecular Weight |
334.456 g/mol |
| SMILES |
[C@@]12(OCCCOCCOCCCO[C@@]2(CCCC1)[H])C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925377 |
