| SpectraBase Compound ID | pP4VTSDbHW |
|---|---|
| InChI | InChI=1S/C13H13NO/c1-13(15,11-7-3-2-4-8-11)12-9-5-6-10-14-12/h2-10,15H,1H3 |
| InChIKey | JZSWVCNVNOZMFN-UHFFFAOYSA-N |
| Mol Weight | 199.25 g/mol |
| Molecular Formula | C13H13NO |
| Exact Mass | 199.099714 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | JXFqSpSLUhB |
|---|---|
| Name | Doxylamine hy |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 199.099714042 u |
| Formula | C13H13NO |
| InChI | InChI=1S/C13H13NO/c1-13(15,11-7-3-2-4-8-11)12-9-5-6-10-14-12/h2-10,15H,1H3 |
| InChIKey | JZSWVCNVNOZMFN-UHFFFAOYSA-N |
| Molecular Weight | 199.253 g/mol |
| SMILES | C(C=1C=CC=CC1)(C1=NC=CC=C1)(O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.9565 |