| SpectraBase Spectrum ID |
KGHcyjr2KL4 |
| Name |
(1R,3R)-5,8-Dimethoxy-1,3-dimethyl-6-((E)-propenyl)-isochroman |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
262.156894565 u |
| Formula |
C16H22O3 |
| InChI |
InChI=1S/C16H22O3/c1-6-7-12-9-14(17-4)15-11(3)19-10(2)8-13(15)16(12)18-5/h6-7,9-11H,8H2,1-5H3/b7-6+/t10-,11-/m1/s1 |
| InChIKey |
ADXKWROIXHTFEG-AFPRHGJPSA-N |
| Molecular Weight |
262.349 g/mol |
| SMILES |
C12=C(C(OC)=C(C=C2OC)\C=C\C)C[C@](O[C@@]1(C)[H])(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952348 |
