SpectraBase Spectrum ID |
DDpcQMceKv5 |
Name |
Norbornane, 2-chloro-2,5,5-trimethyl-, exo- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
172.101878247 u |
Formula |
C10H17Cl |
InChI |
InChI=1S/C10H17Cl/c1-9(2)5-8-4-7(9)6-10(8,3)11/h7-8H,4-6H2,1-3H3/t7-,8-,10-/m0/s1 |
InChIKey |
SYYMZEWOAAUVMT-NRPADANISA-N |
Molecular Weight |
172.699 g/mol |
SMILES |
C1(C)(C)[C@]2(C[C@@](C1)([C@@](C2)(C)Cl)[H])[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949408 |