![N-(Benzyl-d)-N-(2-aminoethyl)-4-{4'-[.alpha.-N-(benzoylamido)-.alpha.-2,4-dimethoxybenzyl]phenoxy}butamide](/api/spectrum/32Tgd93Qiup/structure.png?h=300&w=458 "N-(Benzyl-d)-N-(2-aminoethyl)-4-{4'-[.alpha.-N-(benzoylamido)-.alpha.-2,4-dimethoxybenzyl]phenoxy}butamide")
| SpectraBase Compound ID | 1dh7rU16eV4 |
|---|---|
| InChI | InChI=1S/C35H39N3O5/c1-41-30-19-20-31(32(24-30)42-2)34(37-35(40)28-12-7-4-8-13-28)27-15-17-29(18-16-27)43-23-9-14-33(39)38(22-21-36)25-26-10-5-3-6-11-26/h3-8,10-13,15-20,24,34H,9,14,21-23,25,36H2,1-2H3,(H,37,40)/i25D |
| InChIKey | KXAIIOSUGKJYNW-ZPJDWWTCSA-N |
| Mol Weight | 582.7 g/mol |
| Molecular Formula | C35H38DN3O5 |
| Exact Mass | 582.295248 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 32Tgd93Qiup |
|---|---|
| Name | N-(Benzyl-d)-N-(2-aminoethyl)-4-{4'-[.alpha.-N-(benzoylamido)-.alpha.-2,4-dimethoxybenzyl]phenoxy}butamide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C35H38DN3O5 |
| InChI | InChI=1S/C35H39N3O5/c1-41-30-19-20-31(32(24-30)42-2)34(37-35(40)28-12-7-4-8-13-28)27-15-17-29(18-16-27)43-23-9-14-33(39)38(22-21-36)25-26-10-5-3-6-11-26/h3-8,10-13,15-20,24,34H,9,14,21-23,25,36H2,1-2H3,(H,37,40)/i25D |
| InChIKey | KXAIIOSUGKJYNW-ZPJDWWTCSA-N |
| Molecular Weight | 582.719 g/mol |
| SMILES | N(C(c1ccc(OCCCC(N(CCN)C(c2ccccc2)[D])=O)cc1)c1c(cc(cc1)OC)OC)C(=O)c1ccccc1 |
| SPLASH | splash10-001i-0000090000-f9d37b5eeb6d9ea44c4c |
| Source of Spectrum | AT-40-5612-19 |
| Wiley ID | 854561 |