| SpectraBase Spectrum ID |
5aDXW2Ig3Rm |
| Name |
Dimethyl (3R*,4S*)-3-acetyl-4-[(methoxycarbonyl)methyl]-3-methyl-1,1-cyclopentanedicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
314.136553041 u |
| Formula |
C15H22O7 |
| InChI |
InChI=1S/C15H22O7/c1-9(16)14(2)8-15(12(18)21-4,13(19)22-5)7-10(14)6-11(17)20-3/h10H,6-8H2,1-5H3/t10-,14+/m1/s1 |
| InChIKey |
AIIXVCYDDUJJBR-YGRLFVJLSA-N |
| Molecular Weight |
314.334 g/mol |
| SMILES |
C1(C[C@](C(=O)C)(C)[C@@](C1)(CC(=O)OC)[H])(C(=O)OC)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.81802 |
![dimethyl (3R*,4S*)-3-acetyl-4-[(methoxycarbonyl)methyl]-3-methyl-1,1-cyclopentanedicarboxylate](/api/spectrum/5aDXW2Ig3Rm/structure.png?h=300&w=458 "dimethyl (3R*,4S*)-3-acetyl-4-[(methoxycarbonyl)methyl]-3-methyl-1,1-cyclopentanedicarboxylate")
