![2,7-Dibenzyl-5-[2-(hydroxy)-3-butenyl]-2,7-diazabicyclo[4.3.0]nonan-1-one](/api/spectrum/LB30F3nopag/structure.png?h=300&w=458 "2,7-Dibenzyl-5-[2-(hydroxy)-3-butenyl]-2,7-diazabicyclo[4.3.0]nonan-1-one")
| SpectraBase Compound ID | BXHvwAZtlfx |
|---|---|
| InChI | InChI=1S/C25H30N2O2/c1-2-22(28)15-21-18-27(17-20-11-7-4-8-12-20)24-23(21)13-14-26(25(24)29)16-19-9-5-3-6-10-19/h2-12,21-24,28H,1,13-18H2/t21-,22?,23-,24+/m1/s1 |
| InChIKey | INIPBIPWMSTJCR-XALAGWIPSA-N |
| Mol Weight | 390.53 g/mol |
| Molecular Formula | C25H30N2O2 |
| Exact Mass | 390.230728 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LB30F3nopag |
|---|---|
| Name | 2,7-Dibenzyl-5-[2-(hydroxy)-3-butenyl]-2,7-diazabicyclo[4.3.0]nonan-1-one |
| Alternate Name(s) | (3S,3aR,7aS)-1,6-Dibenzyl-3-(2-hydroxy-but-3-enyl)-octahydro-pyrrolo[2,3-c]pyridin-7-one (3S,3aR,7aS)-3-(2-hydroxybut-3-enyl)-1,6-bis(phenylmethyl)-2,3,3a,4,5,7a-hexahydropyrrolo[2,3-c]pyridin-7-one (3S,3aR,7aS)-3-(2-oxidanylbut-3-enyl)-1,6-bis(phenylmethyl)-2,3,3a,4,5,7a-hexahydropyrrolo[2,3-c]pyridin-7-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H30N2O2 |
| InChI | InChI=1S/C25H30N2O2/c1-2-22(28)15-21-18-27(17-20-11-7-4-8-12-20)24-23(21)13-14-26(25(24)29)16-19-9-5-3-6-10-19/h2-12,21-24,28H,1,13-18H2/t21-,22?,23-,24+/m1/s1 |
| InChIKey | INIPBIPWMSTJCR-XALAGWIPSA-N |
| Molecular Weight | 390.527 g/mol |
| SMILES | OC(C=C)C[C@@]1(CN([C@@]2(C(N(Cc3ccccc3)CC[C@]12[H])=O)[H])Cc1ccccc1)[H] |
| SPLASH | splash10-000g-3955000000-03d28783556edd5b35fe |
| Source of Spectrum | J-58-4950-36 |
| Wiley ID | 1365128 |