| SpectraBase Spectrum ID |
2Ma3weXPnUa |
| Name |
(2R,3R)-3-(3-(Benzyloxy)-4-methoxyphenyl)-2-methyl-4-nitrobutanal |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
343.141972775 u |
| Formula |
C19H21NO5 |
| InChI |
InChI=1S/C19H21NO5/c1-14(12-21)17(11-20(22)23)16-8-9-18(24-2)19(10-16)25-13-15-6-4-3-5-7-15/h3-10,12,14,17H,11,13H2,1-2H3/t14-,17-/m0/s1 |
| InChIKey |
ABGMJHWVHXWUKB-YOEHRIQHSA-N |
| Molecular Weight |
343.379 g/mol |
| SMILES |
C=1(C=C(OCC=2C=CC=CC2)C(=CC1)OC)[C@]([C@@](C)(C=O)[H])(C[N+](=O)[O-])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950064 |
