| SpectraBase Compound ID | Edx41U8iePo |
|---|---|
| InChI | InChI=1S/C27H26ClNO5/c1-15-23(26(31)32-13-16-7-5-4-6-8-16)24(17-9-21-22(10-18(17)28)34-14-33-21)25-19(29-15)11-27(2,3)12-20(25)30/h4-10,24,29H,11-14H2,1-3H3 |
| InChIKey | PAJSQDJOQZZVTF-UHFFFAOYSA-N |
| Mol Weight | 479.96 g/mol |
| Molecular Formula | C27H26ClNO5 |
| Exact Mass | 479.149951 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4a2JcnBHTu7 |
|---|---|
| Name | (phenylmethyl) 4-(6-chloranyl-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate |
| Alternate Name(s) | 4-(6-Chloro-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid (phenylmethyl) ester 4-(6-Chloro-1,3-benzodioxol-5-yl)-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid benzyl ester Benzyl 4-(6-chloro-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate benzyl 4-(6-chloro-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H26ClNO5 |
| InChI | InChI=1S/C27H26ClNO5/c1-15-23(26(31)32-13-16-7-5-4-6-8-16)24(17-9-21-22(10-18(17)28)34-14-33-21)25-19(29-15)11-27(2,3)12-20(25)30/h4-10,24,29H,11-14H2,1-3H3 |
| InChIKey | PAJSQDJOQZZVTF-UHFFFAOYSA-N |
| Molecular Weight | 479.960 g/mol |
| SMILES | N1C(=C(C(C=2C(CC(CC12)(C)C)=O)c1c(cc2c(c1)OCO2)Cl)C(OCc1ccccc1)=O)C |
| SPLASH | splash10-006x-9515200000-1c118f27df35b42d5f22 |
| Wiley ID | 1458955 |