| SpectraBase Spectrum ID |
647KmpieIId |
| Name |
Tricyclo[2.2.1.0(2,6)]heptane, 3-ethoxy-5-(phenylthio)-, (3S,5R)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
246.107836373 u |
| Formula |
C15H18OS |
| InChI |
InChI=1S/C15H18OS/c1-2-16-14-11-8-10-12(14)13(10)15(11)17-9-6-4-3-5-7-9/h3-7,10-15H,2,8H2,1H3/t10-,11+,12+,13-,14-,15+/m1/s1 |
| InChIKey |
KDOPCBMARGMQJQ-FSKVPOERSA-N |
| Molecular Weight |
246.368 g/mol |
| SMILES |
[C@]1([C@]2([C@]3(C[C@@]1([C@@]([C@@]23[H])(SC1=CC=CC=C1)[H])[H])[H])[H])(OCC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.808337 |
![Tricyclo[2.2.1.0(2,6)]heptane, 3-ethoxy-5-(phenylthio)-, (3S,5R)-](/api/spectrum/647KmpieIId/structure.png?h=300&w=458 "Tricyclo[2.2.1.0(2,6)]heptane, 3-ethoxy-5-(phenylthio)-, (3S,5R)-")
