| SpectraBase Spectrum ID |
EAqyjhJHmaP |
| Name |
Dimethyl 6,6-dimethyl-2,5-ethanocyclohex-3-ene-1,1-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.136159120 u |
| Formula |
C14H20O4 |
| InChI |
InChI=1S/C14H20O4/c1-13(2)9-5-7-10(8-6-9)14(13,11(15)17-3)12(16)18-4/h5,7,9-10H,6,8H2,1-4H3/t9-,10+/m0/s1 |
| InChIKey |
ROEYPILPKZQWPJ-VHSXEESVSA-N |
| Molecular Weight |
252.310 g/mol |
| SMILES |
C1(C([C@]2(C=C[C@@]1(CC2)[H])[H])(C)C)(C(=O)OC)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.871836 |
