| SpectraBase Compound ID | 9gVO9hHYsyX |
|---|---|
| InChI | InChI=1S/C22H28O6/c1-25-18-6-5-13(8-19(18)26-2)22-16-10-21(28-4)20(27-3)9-14(16)7-15(11-23)17(22)12-24/h5-6,8-10,15,17,22-24H,7,11-12H2,1-4H3/t15-,17+,22+/m0/s1 InChI=1S/C22H28O6/c1-25-18-6-5-13(8-19(18)26-2)22-16-10-21(28-4)20(27-3)9-14(16)7-15(11-23)17(22)12-24/h5-6,8-10,15,17,22-24H,7,11-12H2,1-4H3/t15-,17+,22+/m1/s1 |
| InChIKey | LTMZRNBMJLXRNY-LBUQITIBSA-N |
| Mol Weight | 388.46 g/mol |
| Molecular Formula | C22H28O6 |
| Exact Mass | 388.188589 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | EVLXZ4T7kRc |
|---|---|
| Name | 1,2-Trans-2,3-cis-6,7-dimethoxy-1-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydro-2,3-naphthalenedimethanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 388.188588616 u |
| Formula | C22H28O6 |
| InChI | InChI=1S/C22H28O6/c1-25-18-6-5-13(8-19(18)26-2)22-16-10-21(28-4)20(27-3)9-14(16)7-15(11-23)17(22)12-24/h5-6,8-10,15,17,22-24H,7,11-12H2,1-4H3/t15-,17+,22+/m0/s1 |
| InChIKey | LTMZRNBMJLXRNY-LBUQITIBSA-N |
| Molecular Weight | 388.460 g/mol |
| SMILES | OC[C@]1([C@@](C=2C=C(C(=CC2C[C@]1(CO)[H])OC)OC)(C=1C=C(C(=CC1)OC)OC)[H])[H] |
| Spectrum/Structure Validation Score (Raman) | 0.765012 |