| SpectraBase Compound ID | 9QDYsisW11m |
|---|---|
| InChI | InChI=1S/C12H19NO3/c1-4-16-12-10(14-2)7-9(5-6-13)8-11(12)15-3/h7-8H,4-6,13H2,1-3H3 |
| InChIKey | RHOGRSKNWDNCDN-UHFFFAOYSA-N |
| Mol Weight | 225.29 g/mol |
| Molecular Formula | C12H19NO3 |
| Exact Mass | 225.136493 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | hqMCljBzY9 |
|---|---|
| Name | Escaline |
| 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/c1-4-16-12-10(14-2)7-9(5-6-13)8-11(12)15-3/h7-8H,4-6,13H2,1-3H3 |
| InChIKey | RHOGRSKNWDNCDN-UHFFFAOYSA-N |
| Molecular Weight | 225.288 g/mol |
| SMILES | NCCC1=CC(=C(C(=C1)OC)OCC)OC |
| Spectrum/Structure Validation Score (Raman) | 0.950768 |