| SpectraBase Spectrum ID |
95qCHGmFI1V |
| Name |
1-Carbomethoxy-1,2,5,5-tetramethyl-cis-decalin(1R,2S,4as,8as) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.208930140 u |
| Formula |
C16H28O2 |
| InChI |
InChI=1S/C16H28O2/c1-11-7-8-12-13(6-5-9-15(12,2)3)16(11,4)10-14(17)18/h11-13H,5-10H2,1-4H3,(H,17,18) |
| InChIKey |
BYDUAWGLIZGGOC-UHFFFAOYSA-N |
| Molecular Weight |
252.398 g/mol |
| SMILES |
C1CC(C)(C)C2C(C1)C(C(C)CC2)(CC(O)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959518 |
