| SpectraBase Compound ID | 3XlIXOJZbUv |
|---|---|
| InChI | InChI=1S/C15H22O/c1-10(9-16)8-13-6-4-11(2)14-7-5-12(3)15(13)14/h8-9,11,13-14H,4-7H2,1-3H3/b10-8+/t11-,13+,14-/m1/s1 |
| InChIKey | RJZWGDPBGWGJNU-MTXIQXFFSA-N |
| Mol Weight | 218.34 g/mol |
| Molecular Formula | C15H22O |
| Exact Mass | 218.167065 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KGoLJlJMqK5 |
|---|---|
| Name | Valerenal |
| Alternate Name(s) | (E)-3-[(4S,7R,7aR)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methyl-2-propenal (E)-3-[(4S,7R,7aR)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methyl-acrolein (E)-3-[(4S,7R,7aR)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methyl-prop-2-enal 2-Propenal, 3-(2,4,5,6,7,7a-hexahydro-3,7-dimethyl-1H-inden-4-yl)-2-methyl-, (4S-(4alpha(E),7beta,7aalpha))- |
| CAS Registry Number | 4176-16-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H22O |
| InChI | InChI=1S/C15H22O/c1-10(9-16)8-13-6-4-11(2)14-7-5-12(3)15(13)14/h8-9,11,13-14H,4-7H2,1-3H3/b10-8+/t11-,13+,14-/m1/s1 |
| InChIKey | RJZWGDPBGWGJNU-MTXIQXFFSA-N |
| Molecular Weight | 218.340 g/mol |
| SMILES | C=12[C@](\C=C\(C=O)C)(CC[C@]([C@]2(CCC1C)[H])(C)[H])[H] |
| SPLASH | splash10-054o-7910000000-5392ebe2385a495738ef |
| Source of Spectrum | LQ-1992-2788-0 |
| Wiley ID | 1218282 |