| SpectraBase Spectrum ID |
LIowHxSuPRz |
| Name |
(4R,5S,6R)-Methyl 4-methyl-5-formyl-6-[(methoxycarbonyl)methyl]-3-oxa-1-cyclohexene-1-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
256.094688229 u |
| Formula |
C12H16O6 |
| InChI |
InChI=1S/C12H16O6/c1-7-9(5-13)8(4-11(14)16-2)10(6-18-7)12(15)17-3/h5-9H,4H2,1-3H3/t7-,8-,9-/m1/s1 |
| InChIKey |
NTCBDZLDJOMIAC-IWSPIJDZSA-N |
| Molecular Weight |
256.254 g/mol |
| SMILES |
C=1([C@@]([C@@](C=O)([H])[C@](OC1)(C)[H])(CC(=O)OC)[H])C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.802978 |
![(4R,5S,6R)-Methyl 4-methyl-5-formyl-6-[(methoxycarbonyl)methyl]-3-oxa-1-cyclohexene-1-carboxylate](/api/spectrum/LIowHxSuPRz/structure.png?h=300&w=458 "(4R,5S,6R)-Methyl 4-methyl-5-formyl-6-[(methoxycarbonyl)methyl]-3-oxa-1-cyclohexene-1-carboxylate")
