| SpectraBase Compound ID | 6SIc8Jj3P9L |
|---|---|
| InChI | InChI=1S/C23H32O4/c1-15-8-7-10-22(3,16(15)2)12-13-23(4)11-9-17-20(24)18(25-5)14-19(26-6)21(17)27-23/h9,11,14-15,24H,2,7-8,10,12-13H2,1,3-6H3 |
| InChIKey | RHDKGXOTYDFQHO-UHFFFAOYSA-N |
| Mol Weight | 372.5 g/mol |
| Molecular Formula | C23H32O4 |
| Exact Mass | 372.23006 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IDjpMfhjwYz |
|---|---|
| Name | Metachromin B |
| CAS Registry Number | 114466-75-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H32O4 |
| InChI | InChI=1S/C23H32O4/c1-15-8-7-10-22(3,16(15)2)12-13-23(4)11-9-17-20(24)18(25-5)14-19(26-6)21(17)27-23/h9,11,14-15,24H,2,7-8,10,12-13H2,1,3-6H3 |
| InChIKey | RHDKGXOTYDFQHO-UHFFFAOYSA-N |
| Molecular Weight | 372.505 g/mol |
| SMILES | Oc1c2c(OC(C=C2)(CCC2(C(=C)C(C)CCC2)C)C)c(OC)cc1OC |
| SPLASH | splash10-00di-0093000000-0c859846bdab259701fb |
| Source of Spectrum | J-53-2857-2 |
| Wiley ID | 1355737 |