| SpectraBase Spectrum ID |
1Tu3yMBoLdw |
| Name |
D-Erythro-hex-1-enitol, 2,3-dideoxy-1-o-methyl-4,6-o-(phenylmethylene)-, [1E,4(R)]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
250.120509056 u |
| Formula |
C14H18O4 |
| InChI |
InChI=1S/C14H18O4/c1-16-9-5-8-12(15)13-10-17-14(18-13)11-6-3-2-4-7-11/h2-7,9,12-15H,8,10H2,1H3/b9-5+ |
| InChIKey |
KTGUHZQGZFXXDA-WEVVVXLNSA-N |
| Molecular Weight |
250.294 g/mol |
| SMILES |
C1(OC(CO1)C(O)C\C=C\OC)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932366 |
![D-Erythro-hex-1-enitol, 2,3-dideoxy-1-o-methyl-4,6-o-(phenylmethylene)-, [1E,4(R)]-](/api/spectrum/1Tu3yMBoLdw/structure.png?h=300&w=458 "D-Erythro-hex-1-enitol, 2,3-dideoxy-1-o-methyl-4,6-o-(phenylmethylene)-, [1E,4(R)]-")
