| SpectraBase Spectrum ID |
3Xxys0G48J0 |
| Name |
2-[(1S,4S,5R)-5-(1-Methoxycarbonyl-1-methyl-ethyl)-4-methoxymethyl-cyclohex-2-enyl]-2-methyl-propionic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.209324061 u |
| Formula |
C18H30O5 |
| InChI |
InChI=1S/C18H30O5/c1-17(2,15(19)22-6)13-9-8-12(11-21-5)14(10-13)18(3,4)16(20)23-7/h8-9,12-14H,10-11H2,1-7H3/t12-,13-,14-/m1/s1 |
| InChIKey |
XMIOXLDIHGPJIZ-MGPQQGTHSA-N |
| Molecular Weight |
326.433 g/mol |
| SMILES |
[C@]1(C(C(=O)OC)(C)C)(C[C@](C(C(=O)OC)(C)C)(C=C[C@@]1(COC)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960739 |
![2-[(1S,4S,5R)-5-(1-Methoxycarbonyl-1-methyl-ethyl)-4-methoxymethyl-cyclohex-2-enyl]-2-methyl-propionic acid methyl ester](/api/spectrum/3Xxys0G48J0/structure.png?h=300&w=458 "2-[(1S,4S,5R)-5-(1-Methoxycarbonyl-1-methyl-ethyl)-4-methoxymethyl-cyclohex-2-enyl]-2-methyl-propionic acid methyl ester")
