![{1(S)-{[1-(benzyloxy)-2-oxo-3(S)-azetidinyl]carbamol}butyl}carbamic acid, benzyl ester](/api/spectrum/JolYgowykL9/structure.png?h=300&w=458 "{1(S)-{[1-(benzyloxy)-2-oxo-3(S)-azetidinyl]carbamol}butyl}carbamic acid, benzyl ester")
| SpectraBase Compound ID | 7R0RLj4EsHg |
|---|---|
| InChI | InChI=1S/C23H27N3O5/c1-2-9-19(25-23(29)30-15-17-10-5-3-6-11-17)21(27)24-20-14-26(22(20)28)31-16-18-12-7-4-8-13-18/h3-8,10-13,19-20H,2,9,14-16H2,1H3,(H,24,27)(H,25,29)/t19-,20-/m0/s1 |
| InChIKey | GTAHLBFHRYSYKG-PMACEKPBSA-N |
| Mol Weight | 425.49 g/mol |
| Molecular Formula | C23H27N3O5 |
| Exact Mass | 425.195071 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JolYgowykL9 |
|---|---|
| Name | {1(S)-{[1-(benzyloxy)-2-oxo-3(S)-azetidinyl]carbamol}butyl}carbamic acid, benzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 425.195070976 u |
| Formula | C23H27N3O5 |
| InChI | InChI=1S/C23H27N3O5/c1-2-9-19(25-23(29)30-15-17-10-5-3-6-11-17)21(27)24-20-14-26(22(20)28)31-16-18-12-7-4-8-13-18/h3-8,10-13,19-20H,2,9,14-16H2,1H3,(H,24,27)(H,25,29)/t19-,20-/m0/s1 |
| InChIKey | GTAHLBFHRYSYKG-PMACEKPBSA-N |
| Molecular Weight | 425.485 g/mol |
| SMILES | N([C@]1(CN(C1=O)OCC1=CC=CC=C1)[H])C([C@@](NC(OCC=1C=CC=CC1)=O)(CCC)[H])=O |