| SpectraBase Spectrum ID |
9l5bF9kzafH |
| Name |
5-(Methoxycarbonyl)-2-(phenoxycarbonyl)-8a-[2-(methoxycarbonyl)-2-[N-methyl-N-(2,2,2-trichloroethoxycarbonyl)aminoethyl]-1,2,3,4,7,8-hexahydroisoquinoline-8-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H29Cl3N2O9 |
| InChI |
InChI=1S/C26H29Cl3N2O9/c1-30(23(35)39-15-26(27,28)29)19(22(34)38-3)13-25-14-31(24(36)40-16-7-5-4-6-8-16)12-11-18(25)17(21(33)37-2)9-10-20(25)32/h4-9,18-19H,10-15H2,1-3H3 |
| InChIKey |
BZOQVVJKGUTHSI-UHFFFAOYSA-N |
| Molecular Weight |
619.882 g/mol |
| SMILES |
C12(C(C(C(=O)OC)=CCC2=O)CCN(C1)C(Oc1ccccc1)=O)CC(N(C(OCC(Cl)(Cl)Cl)=O)C)C(=O)OC |
| SPLASH |
splash10-004i-0000091000-5ee433aec137810000f8 |
| Source of Spectrum |
H1-38-1617-22 |
| Wiley ID |
756346 |
![5-(Methoxycarbonyl)-2-(phenoxycarbonyl)-8a-[2-(methoxycarbonyl)-2-[N-methyl-N-(2,2,2-trichloroethoxycarbonyl)aminoethyl]-1,2,3,4,7,8-hexahydroisoquinoline-8-one](/api/spectrum/9l5bF9kzafH/structure.png?h=300&w=458 "5-(Methoxycarbonyl)-2-(phenoxycarbonyl)-8a-[2-(methoxycarbonyl)-2-[N-methyl-N-(2,2,2-trichloroethoxycarbonyl)aminoethyl]-1,2,3,4,7,8-hexahydroisoquinoline-8-one")
