| SpectraBase Compound ID | HX9NZUIJziN |
|---|---|
| InChI | InChI=1S/C16H19ClO4/c1-16(2)20-14-11(17)8-12(13(18)15(14)21-16)19-9-10-6-4-3-5-7-10/h3-8,12-15,18H,9H2,1-2H3/t12-,13+,14+,15-/m0/s1 |
| InChIKey | CXERRHGZEMWDRC-YJNKXOJESA-N |
| Mol Weight | 310.78 g/mol |
| Molecular Formula | C16H19ClO4 |
| Exact Mass | 310.097187 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Cc8VU4VyF5R |
|---|---|
| Name | 7-Chloro-2,2-dimethyl-5-(phenylmethoxy)-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H19ClO4 |
| InChI | InChI=1S/C16H19ClO4/c1-16(2)20-14-11(17)8-12(13(18)15(14)21-16)19-9-10-6-4-3-5-7-10/h3-8,12-15,18H,9H2,1-2H3/t12-,13+,14+,15-/m0/s1 |
| InChIKey | CXERRHGZEMWDRC-YJNKXOJESA-N |
| Molecular Weight | 310.777 g/mol |
| SMILES | O[C@]1([C@]2([C@@](C(Cl)=C[C@@]1(OCc1ccccc1)[H])(OC(O2)(C)C)[H])[H])[H] |
| SPLASH | splash10-0006-9000000000-cf005bf59f0c66d874cb |
| Source of Spectrum | B-52-139-5 |
| Synonyms | (3aS,4R,5S,7aS)-5-benzoxy-7-chloro-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-ol (3aS,4R,5S,7aS)-5-Benzyloxy-7-chloro-2,2-dimethyl-3a,4,5,7a-tetrahydro-benzo[1,3]dioxol-4-ol 5-(benzyloxy)-7-chloro-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-ol (3aS,4R,5S,7aS)-7-chloro-2,2-dimethyl-5-phenylmethoxy-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-ol (3aS,4R,5S,7aS)-7-chloranyl-2,2-dimethyl-5-phenylmethoxy-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-ol (3aS,4R,5S,7aS)-5-benzyloxy-7-chloro-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-ol |
| Wiley ID | 746251 |