| SpectraBase Spectrum ID |
yH18PXAItM |
| Name |
(1R,3R,4S)-5,8-Dimethoxy-1,3-dimethyl-3,4-dihydro-1H-2-benzopyran-4-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
238.120509056 u |
| Formula |
C13H18O4 |
| InChI |
InChI=1S/C13H18O4/c1-7-11-9(15-3)5-6-10(16-4)12(11)13(14)8(2)17-7/h5-8,13-14H,1-4H3/t7-,8-,13-/m1/s1 |
| InChIKey |
QGGCNSNPESSETE-OTPXZMOZSA-N |
| Molecular Weight |
238.283 g/mol |
| SMILES |
C12=C([C@@](C)(O[C@@]([C@]2(O)[H])(C)[H])[H])C(OC)=CC=C1OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935493 |
