| SpectraBase Spectrum ID |
JLEr2iAnTH7 |
| Name |
(1R,3R)-5,8-Dimethoxy-1,3-dimethyl-isochroman-6-carbaldehyde |
| 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/c1-8-5-11-13(9(2)18-8)12(16-3)6-10(7-15)14(11)17-4/h6-9H,5H2,1-4H3/t8-,9-/m1/s1 |
| InChIKey |
UMPYKBTVJMJAIS-RKDXNWHRSA-N |
| Molecular Weight |
250.294 g/mol |
| SMILES |
C12=C(C(OC)=C(C=C2OC)C=O)C[C@](O[C@@]1(C)[H])(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.802687 |
