SpectraBase Compound ID | 318jAspKOjZ |
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InChI | InChI=1S/C10H11NO2/c12-10-6-5-9(11-13)7-3-1-2-4-8(7)10/h5-6,12H,1-4H2 |
InChIKey | SJFBOLNLPGRQJC-UHFFFAOYSA-N |
Mol Weight | 177.2 g/mol |
Molecular Formula | C10H11NO2 |
Exact Mass | 177.078979 g/mol |
SpectraBase Spectrum ID | 1f3x2OOCekE |
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Name | 4-Nitroso-5,6,7,8-tetrahydronaphthalen-1-ol |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 177.078978596 u |
Formula | C10H11NO2 |
InChI | InChI=1S/C10H11NO2/c12-10-6-5-9(11-13)7-3-1-2-4-8(7)10/h5-6,12H,1-4H2 |
InChIKey | SJFBOLNLPGRQJC-UHFFFAOYSA-N |
Molecular Weight | 177.203 g/mol |
SMILES | C1=CC(=C2C(=C1N=O)CCCC2)O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.951732 |