| SpectraBase Compound ID | 35v1dkjUaik |
|---|---|
| InChI | InChI=1S/C20H22O2/c1-20-10-9-15(21)12-14(20)4-6-18-17-7-5-16(22-2)11-13(17)3-8-19(18)20/h3,5,7-8,11,14H,4,6,9-10,12H2,1-2H3/t14-,20+/m1/s1 InChI=1S/C20H22O2/c1-20-10-9-15(21)12-14(20)4-6-18-17-7-5-16(22-2)11-13(17)3-8-19(18)20/h3,5,7-8,11,14H,4,6,9-10,12H2,1-2H3/t14-,20+/m0/s1 |
| InChIKey | TXIIVFDKXLQMPI-VLIAUNLRSA-N |
| Mol Weight | 294.39 g/mol |
| Molecular Formula | C20H22O2 |
| Exact Mass | 294.16198 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 2H5PPWXNc2C |
|---|---|
| Name | cis-3,4,4A,11,12,12A-Hexahydro-8-methoxy-4A-methyl-2(1H)-chrysenone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.161979946 u |
| Formula | C20H22O2 |
| InChI | InChI=1S/C20H22O2/c1-20-10-9-15(21)12-14(20)4-6-18-17-7-5-16(22-2)11-13(17)3-8-19(18)20/h3,5,7-8,11,14H,4,6,9-10,12H2,1-2H3/t14-,20+/m1/s1 |
| InChIKey | TXIIVFDKXLQMPI-VLIAUNLRSA-N |
| SMILES | C[C@]12[C@](CCC3=C1C=CC1=C3C=CC(=C1)OC)(CC(CC2)=O)[H] |
| Spectrum/Structure Validation Score (Raman) | 0.970422 |