| SpectraBase Spectrum ID |
4Ny8SZQTFfz |
| Name |
(1A,3ab,5A,6A,7ab)-(-)-1,3A-dimethyl-6-(1-methylethyl)octahydro-1,5-methano-1H-inden-4-yl thiocyanate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
263.170770983 u |
| Formula |
C16H25NS |
| InChI |
InChI=1S/C16H25NS/c1-10(2)11-7-13-15(3)5-6-16(13,4)14(18-9-17)12(11)8-15/h10-14H,5-8H2,1-4H3/t11-,12-,13+,14?,15+,16-/m0/s1 |
| InChIKey |
PAPMPNGRDPJGLL-VKSCHZKKSA-N |
| Molecular Weight |
263.443 g/mol |
| SMILES |
[C@@]12([C@]3([C@](C)(CC2)C[C@](C1SC#N)([C@](C(C)C)(C3)[H])[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.922952 |
