| SpectraBase Spectrum ID |
9cHG19YmkC |
| Name |
Trans-3,4-dihydro-3-hydroxy-6-methoxy-2,2-dimethyl-4-(2-pyridyloxy)-2H-1-benzopyran |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
301.131408092 u |
| Formula |
C17H19NO4 |
| InChI |
InChI=1S/C17H19NO4/c1-17(2)16(19)15(21-14-6-4-5-9-18-14)12-10-11(20-3)7-8-13(12)22-17/h4-10,15-16,19H,1-3H3/t15-,16+/m0/s1 |
| InChIKey |
KGCHONYWKSGMOG-JKSUJKDBSA-N |
| SMILES |
C1([C@@]([C@](C=2C(O1)=CC=C(C2)OC)(OC=1C=CC=CN1)[H])(O)[H])(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.863901 |
