| SpectraBase Spectrum ID |
7pjChCk8EWZ |
| Name |
3-Methyl-5-isopropyl-1,8-dihydroxycycloheptapyrazol-8-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H14N2O |
| InChI |
InChI=1S/C12H14N2O/c1-7(2)9-4-5-11(15)12-10(6-9)8(3)13-14-12/h4-7H,1-3H3,(H,13,14) |
| InChIKey |
NAYRWGUNFNCVBJ-UHFFFAOYSA-N |
| Molecular Weight |
202.257 g/mol |
| SMILES |
[nH]1nc(c2c1C(C=CC(=C2)C(C)C)=O)C |
| SPLASH |
splash10-0f79-0980000000-97583f1dd198b5bb120b |
| Source of Spectrum |
E1-40-1608-2 |
| Synonyms |
5-isopropyl-3-methylcyclohepta[c]pyrazol-8(1H)-one |
| Wiley ID |
1519460 |
