![rel-{[3-(1S)],3S,4S}-1,4-diphenyl-3-(1-hydroethyl)-2-azetidinone](/api/spectrum/J0PI8JvvEmW/structure.png?h=300&w=458 "rel-{[3-(1S)],3S,4S}-1,4-diphenyl-3-(1-hydroethyl)-2-azetidinone")
| SpectraBase Compound ID | Dft6e5i9999 |
|---|---|
| InChI | InChI=1S/C17H17NO2/c1-12(19)15-16(13-8-4-2-5-9-13)18(17(15)20)14-10-6-3-7-11-14/h2-12,15-16,19H,1H3/t12-,15+,16+/m0/s1 InChI=1S/C17H17NO2/c1-12(19)15-16(13-8-4-2-5-9-13)18(17(15)20)14-10-6-3-7-11-14/h2-12,15-16,19H,1H3/t12-,15+,16+/m1/s1 |
| InChIKey | SZILNLKXIXTFEP-APHBMKBZSA-N |
| Mol Weight | 267.33 g/mol |
| Molecular Formula | C17H17NO2 |
| Exact Mass | 267.125929 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | J0PI8JvvEmW |
|---|---|
| Name | rel-{[3-(1S)],3S,4S}-1,4-Diphenyl-3-(1-hydroethyl)-2-azetidinone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 267.125928789 u |
| Formula | C17H17NO2 |
| InChI | InChI=1S/C17H17NO2/c1-12(19)15-16(13-8-4-2-5-9-13)18(17(15)20)14-10-6-3-7-11-14/h2-12,15-16,19H,1H3/t12-,15+,16+/m0/s1 |
| InChIKey | SZILNLKXIXTFEP-APHBMKBZSA-N |
| SMILES | O[C@]([C@]1(C(N([C@@]1(C=1C=CC=CC1)[H])C=1C=CC=CC1)=O)[H])(C)[H] |
| Spectrum/Structure Validation Score (Raman) | 0.994038 |