| SpectraBase Compound ID | 38xbdQGSFdp |
|---|---|
| InChI | InChI=1S/C14H16O/c1-8-10-4-3-5-11(10)9(2)14-12(8)6-7-13(14)15/h3-7H2,1-2H3 |
| InChIKey | BJVJJVOWNVVMNE-UHFFFAOYSA-N |
| Mol Weight | 200.28 g/mol |
| Molecular Formula | C14H16O |
| Exact Mass | 200.120115 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6gzXkI7wrGq |
|---|---|
| Name | 4,8-Dimethyl-3,5,6,7-tetrahydro-2H-s-indacen-1-one |
| CAS Registry Number | 54889-59-7 |
| Comments | Edited after expert review for acetone contamination - Original record with SpectrumID 23570 moved to the Legacy library |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C14H16O |
| InChI | InChI=1S/C14H16O/c1-8-10-4-3-5-11(10)9(2)14-12(8)6-7-13(14)15/h3-7H2,1-2H3 |
| InChIKey | BJVJJVOWNVVMNE-UHFFFAOYSA-N |
| Molecular Weight | 200.281 g/mol |
| SMILES | c12c(c(C)c3c(c2C)CCC3)C(=O)CC1 |
| SPLASH | splash10-002o-9500000000-11fd04e96d87fe030d53 |
| Source of Spectrum | AA-0-1417-1 |
| Synonyms | 4,8-Dimethyl-1-S-hydrindacenone (3aS,4R,6aR)-4-methyl-5-methylenehexahydro-1(2H)-pentalenone (3aS,4R,6aR)-4-methyl-5-methylenehexahydro-1(2H)-pentalenone (3aS,4S,6aR)-4-methyl-5-methylenehexahydro-1(2H)-pentalenone (3aS,4S,6aR)-4-methyl-5-methylenehexahydro-1(2H)-pentalenone 4,8-Dimethyl-2,3,6,7-tetrahydro-s-indacen-1(5H)-one 4,8-Dimethyl-2,3,6,7-tetrahydro-s-indacen-1(5H)-one 4,8-Dimethyl-2,3,6,7-tetrahydro-s-indacen-1(5H)-one |
| Wiley ID | 1821452 |