| SpectraBase Spectrum ID |
JHFBTIvFWMP |
| Name |
(Trans)-5-(benzyloxy)-1,3-dimethyl-1H-isochromane-6-carbaldehyde |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
296.141244501 u |
| Formula |
C19H20O3 |
| InChI |
InChI=1S/C19H20O3/c1-13-10-18-17(14(2)22-13)9-8-16(11-20)19(18)21-12-15-6-4-3-5-7-15/h3-9,11,13-14H,10,12H2,1-2H3/t13-,14-/m0/s1 |
| InChIKey |
DXFWWMNPVCBJPW-KBPBESRZSA-N |
| Molecular Weight |
296.366 g/mol |
| SMILES |
C12=C([C@](C)(O[C@](C2)(C)[H])[H])C=CC(=C1OCC=1C=CC=CC1)C=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.978993 |
