| SpectraBase Spectrum ID |
IzCdIPs9vjr |
| Name |
2H-1-Benzopyran-6-ol, 3,4-dihydro-2,2,4-trimethyl-5-nitro-7-(1,1,3,3-tetramethylbutyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
349.225308478 u |
| Formula |
C20H31NO4 |
| InChI |
InChI=1S/C20H31NO4/c1-12-10-20(7,8)25-14-9-13(19(5,6)11-18(2,3)4)17(22)16(15(12)14)21(23)24/h9,12,22H,10-11H2,1-8H3 |
| InChIKey |
PHJMZHCDGGMWFX-UHFFFAOYSA-N |
| Molecular Weight |
349.471 g/mol |
| SMILES |
CC1CC(C)(C)OC2=CC(=C(O)C([N+]([O-])=O)=C12)C(C)(C)CC(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.875219 |
