| SpectraBase Compound ID | 1CBvclADJOX |
|---|---|
| InChI | InChI=1S/C10H13NO2/c1-6(2)7-5-10(13)9(12)4-3-8(7)11/h3-6H,11H2,1-2H3,(H,12,13) |
| InChIKey | CTTPUXAOAOCCRY-UHFFFAOYSA-N |
| Mol Weight | 179.22 g/mol |
| Molecular Formula | C10H13NO2 |
| Exact Mass | 179.094629 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | AtcmDU3PZUh |
|---|---|
| Name | 5-Amino-2-hydroxy-4-isopropyl-2,4,6-cycloheptatrien-1-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 179.094628661 u |
| Formula | C10H13NO2 |
| InChI | InChI=1S/C10H13NO2/c1-6(2)7-5-10(13)9(12)4-3-8(7)11/h3-6H,11H2,1-2H3,(H,12,13) |
| InChIKey | CTTPUXAOAOCCRY-UHFFFAOYSA-N |
| SMILES | OC1=CC(=C(C=CC1=O)N)C(C)C |
| Spectrum/Structure Validation Score (Raman) | 0.926224 |