| SpectraBase Spectrum ID |
ETtACmLuHf7 |
| Name |
3,5-Dimethyl-1H-cycloheptapyrazol-8-one |
| Alternate Name(s) |
3,5-Dimethyl-1,8-dihydroxycycloheptapyrazol-8-one
3,5-dimethylcyclohepta[c]pyrazol-8(1H)-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C10H10N2O |
| InChI |
InChI=1S/C10H10N2O/c1-6-3-4-9(13)10-8(5-6)7(2)11-12-10/h3-5H,1-2H3,(H,11,12) |
| InChIKey |
KQMGYWBRDHDRMK-UHFFFAOYSA-N |
| Molecular Weight |
174.203 g/mol |
| SMILES |
[nH]1nc(c2c1C(C=CC(=C2)C)=O)C |
| SPLASH |
splash10-006t-0900000000-85440081e5f1b25d91d0 |
| Source of Spectrum |
E1-40-1608-2 |
| Wiley ID |
1519461 |
