| SpectraBase Compound ID | 2oxW0i5nrel |
|---|---|
| InChI | InChI=1S/C8H12O/c1-7-4-2-3-5-8(9)6-7/h4H,2-3,5-6H2,1H3 |
| InChIKey | MQEAASYWNDKGRI-UHFFFAOYSA-N |
| Mol Weight | 124.18 g/mol |
| Molecular Formula | C8H12O |
| Exact Mass | 124.088815 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GRWPlvPTuul |
|---|---|
| Name | 3-Cyclohepten-1-one, 3-methyl- |
| Alternate Name(s) | 3-Methylcyclohept-3-en-1-one |
| CAS Registry Number | 14525-96-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H12O |
| InChI | InChI=1S/C8H12O/c1-7-4-2-3-5-8(9)6-7/h4H,2-3,5-6H2,1H3 |
| InChIKey | MQEAASYWNDKGRI-UHFFFAOYSA-N |
| Molecular Weight | 124.183 g/mol |
| SMILES | C1(=CCCCC(C1)=O)C |
| SPLASH | splash10-001j-9100000000-a60fe544ba6dee9f28dc |
| Source of Spectrum | J-55-1956-5 |
| Wiley ID | 1129046 |