| SpectraBase Spectrum ID |
EChQiVI2Yb5 |
| Name |
(S)-(-)-4-nitro-1-(4'-methoxyphenyl)-1-butanol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
225.100107963 u |
| Formula |
C11H15NO4 |
| InChI |
InChI=1S/C11H15NO4/c1-16-10-6-4-9(5-7-10)11(13)3-2-8-12(14)15/h4-7,11,13H,2-3,8H2,1H3/t11-/m0/s1 |
| InChIKey |
MOTZYZSMKZPCDA-NSHDSACASA-N |
| Molecular Weight |
225.244 g/mol |
| SMILES |
C(N(=O)=O)CC[C@@](C1=CC=C(C=C1)OC)(O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.849317 |
