| SpectraBase Compound ID | 2yTJbOrhKJa |
|---|---|
| InChI | InChI=1S/C19H17ClO8/c1-7-5-11(8(2)15(22)12(7)18(25)27-4)28-19(26)13-9(3)14(20)17(24)10(6-21)16(13)23/h5-6,22-24H,1-4H3 |
| InChIKey | ABZLZZCDSLOCNF-UHFFFAOYSA-N |
| Mol Weight | 408.79 g/mol |
| Molecular Formula | C19H17ClO8 |
| Exact Mass | 408.061195 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 84U0X4SA1wi |
|---|---|
| Name | Benzoic acid, 3-chloro-5-formyl-4,6-dihydroxy-2-methyl-, 3-hydroxy-4-(methoxycarbonyl)-2,5-dimethylphenyl ester |
| Alternate Name(s) | 3-Hydroxy-4-(methoxycarbonyl)-2,5-dimethylphenyl 3-chloro-5-formyl-4,6-dihydroxy-2-methylbenzoate (3-hydroxy-4-methoxycarbonyl-2,5-dimethyl-phenyl) 5-chloro-3-formyl-2,4-dihydroxy-6-methyl-benzoate (4-methoxycarbonyl-2,5-dimethyl-3-oxidanyl-phenyl) 3-chloranyl-5-methanoyl-2-methyl-4,6-bis(oxidanyl)benzoate .beta.-Resorcylic acid, 3,6-dimethyl-,methyl ester, 4-(5-chloro-2,4-dihydroxy-6-methylisophthalaldehydate) 5-Chloro-3-formyl-2,4-dihydroxy-6-methyl-benzoic acid (4-carbomethoxy-3-hydroxy-2,5-dimethyl-phenyl) ester 5-Chloro-3-formyl-2,4-dihydroxy-6-methylbenzoic acid (3-hydroxy-4-methoxycarbonyl-2,5-dimethylphenyl) ester Chloratranorin Chloroatranorin Isophthalaldehydic acid, 5-chloro-2,4-dihydroxy-6-methyl-, 4-ester with methyl 3,6-dimethyl-.beta.-resorcylate |
| CAS Registry Number | 479-16-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H17ClO8 |
| InChI | InChI=1S/C19H17ClO8/c1-7-5-11(8(2)15(22)12(7)18(25)27-4)28-19(26)13-9(3)14(20)17(24)10(6-21)16(13)23/h5-6,22-24H,1-4H3 |
| InChIKey | ABZLZZCDSLOCNF-UHFFFAOYSA-N |
| Molecular Weight | 408.790 g/mol |
| SMILES | Oc1c(c(cc(OC(c2c(c(c(c(c2C)Cl)O)C=O)O)=O)c1C)C)C(=O)OC |
| SPLASH | splash10-03dr-6910000000-a9e15a086ad5c784454f |
| Source of Spectrum | SD-1981-0-0 |
| Wiley ID | 1372800 |