SpectraBase Compound ID | Ci5XPrdaiSS |
---|---|
InChI | InChI=1S/C12H19NO3/c1-2-16-12-6-4-3-5-11(12)13(7-9-14)8-10-15/h3-6,14-15H,2,7-10H2,1H3 |
InChIKey | ACRPGPVCAXRVPP-UHFFFAOYSA-N |
Mol Weight | 225.29 g/mol |
Molecular Formula | C12H19NO3 |
Exact Mass | 225.136493 g/mol |
SpectraBase Spectrum ID | 9tEv08TIgQh |
---|---|
Name | N,N-bis(2-Hydroxyethyl)-o-phenetidine |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 225.136493473 u |
Formula | C12H19NO3 |
InChI | InChI=1S/C12H19NO3/c1-2-16-12-6-4-3-5-11(12)13(7-9-14)8-10-15/h3-6,14-15H,2,7-10H2,1H3 |
InChIKey | ACRPGPVCAXRVPP-UHFFFAOYSA-N |
Molecular Weight | 225.288 g/mol |
SMILES | OCCN(CCO)C1=C(C=CC=C1)OCC |
Spectrum/Structure Validation Score (Raman) | 0.945086 |