| SpectraBase Spectrum ID |
2igTPr0zo22 |
| Name |
8.beta.,12-Epithio-13,14,15,16-tetranorlabdane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.191172076 u |
| Formula |
C16H28S |
| InChI |
InChI=1S/C16H28S/c1-14(2)8-5-9-15(3)12(14)6-10-16(4)13(15)7-11-17-16/h12-13H,5-11H2,1-4H3/t12-,13+,15-,16-/m0/s1 |
| InChIKey |
FPFCSAMQKCPDGY-XRGAULLZSA-N |
| Molecular Weight |
252.460 g/mol |
| SMILES |
[C@@]12([C@](C(C)(C)CCC2)(CC[C@]2([C@@]1(CCS2)[H])C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.873081 |
