SpectraBase Spectrum ID |
2kn2koExswa |
Name |
3-(Endo-thiocyanato)camphor |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
209.087435280 u |
Formula |
C11H15NOS |
InChI |
InChI=1S/C11H15NOS/c1-10(2)7-4-5-11(10,3)9(13)8(7)14-6-12/h7-8H,4-5H2,1-3H3/t7-,8?,11+/m1/s1 |
InChIKey |
IVISMQGXERQLJT-CKAYBYEFSA-N |
Molecular Weight |
209.307 g/mol |
SMILES |
[C@]12(C([C@](CC2)(C(C1=O)SC#N)[H])(C)C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.920292 |