| SpectraBase Spectrum ID |
8JVjMuBtrAX |
| Name |
2-Cyanoethyl-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
259.157228918 u |
| Formula |
C16H21NO2 |
| InChI |
InChI=1S/C16H21NO2/c1-10-11(2)15-13(12(3)14(10)18)6-8-16(4,19-15)7-5-9-17/h18H,5-8H2,1-4H3 |
| InChIKey |
YBRKMFFHXSYDJP-UHFFFAOYSA-N |
| Molecular Weight |
259.349 g/mol |
| SMILES |
C1(CCC=2C(O1)=C(C(=C(C2C)O)C)C)(C)CCC#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947924 |
