SpectraBase Compound ID | 6JWahmQVyA |
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InChI | InChI=1S/C9H8N2O/c1-6-7-4-2-3-5-8(12)9(7)11-10-6/h2-5H,1H3,(H,10,11) |
InChIKey | NOWHOLAOUBLPEB-UHFFFAOYSA-N |
Mol Weight | 160.18 g/mol |
Molecular Formula | C9H8N2O |
Exact Mass | 160.063663 g/mol |
SpectraBase Spectrum ID | AQQkCGh77nK |
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Name | 3-methyl-2H-cyclohepta[c]pyrazol-8-one |
Comments | Less than 3 mono-isotopic peaks |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C9H8N2O |
InChI | InChI=1S/C9H8N2O/c1-6-7-4-2-3-5-8(12)9(7)11-10-6/h2-5H,1H3,(H,10,11) |
InChIKey | NOWHOLAOUBLPEB-UHFFFAOYSA-N |
Molecular Weight | 160.176 g/mol |
SMILES | [nH]1nc(c2c1C(C=CC=C2)=O)C |
SPLASH | splash10-01q9-0900000000-0fd998fcb6132aa05bec |
Source of Spectrum | E1-40-1608-2 |
Wiley ID | 1519462 |