| SpectraBase Spectrum ID |
DaWefPxOGYx |
| Name |
Meso-(2S,3S,4R)-3-(2-chloroethoxy)-3-[(E)-2-phenylethenyl]tricyclo[3.2.1.0(2,4)]octane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
288.128092995 u |
| Formula |
C18H21ClO |
| InChI |
InChI=1S/C18H21ClO/c19-10-11-20-18(9-8-13-4-2-1-3-5-13)16-14-6-7-15(12-14)17(16)18/h1-5,8-9,14-17H,6-7,10-12H2/b9-8+/t14?,15?,16-,17+,18- |
| InChIKey |
ZUGURNKGSQOHSI-OCQGFTRJSA-N |
| SMILES |
[C@]1([C@@]2(C3CCC([C@]12[H])C3)[H])(\C=C\C=1C=CC=CC1)OCCCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947157 |
![Meso-(2S,3S,4R)-3-(2-chloroethoxy)-3-[(E)-2-phenylethenyl]tricyclo[3.2.1.0(2,4)]octane](/api/spectrum/DaWefPxOGYx/structure.png?h=300&w=458 "Meso-(2S,3S,4R)-3-(2-chloroethoxy)-3-[(E)-2-phenylethenyl]tricyclo[3.2.1.0(2,4)]octane")
