SpectraBase Compound ID | KbyoWb3QgH7 |
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InChI | InChI=1S/C9H13NO/c1-6-4-3-5-8(10)9(6)7(2)11/h3-5,7,11H,10H2,1-2H3 |
InChIKey | FDFMQTXHKSCGKQ-UHFFFAOYSA-N |
Mol Weight | 151.21 g/mol |
Molecular Formula | C9H13NO |
Exact Mass | 151.099714 g/mol |
SpectraBase Spectrum ID | 4qLL6GPYdcH |
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Name | 1-(2-Amino-6-methylphenyl)ethan-1-ol |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 151.099714042 u |
Formula | C9H13NO |
InChI | InChI=1S/C9H13NO/c1-6-4-3-5-8(10)9(6)7(2)11/h3-5,7,11H,10H2,1-2H3 |
InChIKey | FDFMQTXHKSCGKQ-UHFFFAOYSA-N |
Molecular Weight | 151.209 g/mol |
SMILES | C(O)(C)C=1C(=CC=CC1C)N |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.852528 |