| SpectraBase Spectrum ID |
6UWRcLcdJet |
| Name |
(1R,2S,3as,4R,6as)-1,3A,4,6A-Tetramethyl-1,2,3,4,5,6-hexahydropentalene-2-carboxylic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
224.177630011 u |
| Formula |
C14H24O2 |
| InChI |
InChI=1S/C14H24O2/c1-9-6-7-13(3)10(2)11(12(15)16-5)8-14(9,13)4/h9-11H,6-8H2,1-5H3/t9-,10-,11+,13+,14+/m1/s1 |
| InChIKey |
IKVQOUMDCDTKSQ-FQEAEBOJSA-N |
| Molecular Weight |
224.344 g/mol |
| SMILES |
[C@@]12([C@@](C[C@@]([C@]2(C)[H])(C(=O)OC)[H])([C@](C)(CC1)[H])C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957954 |
