| SpectraBase Spectrum ID |
FlNu3Tp2cpx |
| Name |
Trans-2-chloro-1,1,3-trimethylcyclopentane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
146.086228183 u |
| Formula |
C8H15Cl |
| InChI |
InChI=1S/C8H15Cl/c1-6-4-5-8(2,3)7(6)9/h6-7H,4-5H2,1-3H3/t6-,7+/m0/s1 |
| InChIKey |
QBMZOQVOXARFEH-NKWVEPMBSA-N |
| Molecular Weight |
146.661 g/mol |
| SMILES |
C1([C@@]([C@@](C)(CC1)[H])(Cl)[H])(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938846 |
