| SpectraBase Compound ID | 3ZIqC68m2yN |
|---|---|
| InChI | InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h5H,4,6H2,1-3H3 |
| InChIKey | LKOKKQDYMZUSCG-UHFFFAOYSA-N |
| Mol Weight | 138.21 g/mol |
| Molecular Formula | C9H14O |
| Exact Mass | 138.104465 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | J6r32obEYIQ |
|---|---|
| Name | Crocusatin-E [2,6,6-trimethylcyclohex-1-en-4-one] |
| Alternate Name(s) | 3-Cyclohexen-1-one, 3,5,5-trimethyl- 3,3,5-Trimethyl-cyclohex-4-en-1-one .beta.-Isophorone 3,5,5-Trimethyl-3-cyclohexen-1-one .beta.-Phorone 3,5,5-Trimethylcyclohex-3-en-1-one 3,5,5-trimethylcyclohexa-3-en-1-one 3,5,5-trimethyl-1-cyclohex-3-enone 3,5,5-Trimethyl-3-cyclohexene-1-one 3-Cyclohexen-1-one,3,5,5-trimethyl- AI3-33979 EINECS 207-434-1 |
| CAS Registry Number | 471-01-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H14O |
| InChI | InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h5H,4,6H2,1-3H3 |
| InChIKey | LKOKKQDYMZUSCG-UHFFFAOYSA-N |
| Molecular Weight | 138.210 g/mol |
| SMILES | C1=C(CC(CC1(C)C)=O)C |
| SPLASH | splash10-0a4i-9500000000-14b9491a2ce25db402a8 |
| Source of Spectrum | E2-50-1308-5 |
| Wiley ID | 1555888 |