| SpectraBase Spectrum ID |
9KOkNFsg1Vc |
| Name |
3-oxo-4-(4-oxo-Azetidin-2-yl)-butyric acid 4-nitro-benzyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.085186173 u |
| Formula |
C14H14N2O6 |
| InChI |
InChI=1S/C14H14N2O6/c17-12(5-10-6-13(18)15-10)7-14(19)22-8-9-1-3-11(4-2-9)16(20)21/h1-4,10H,5-8H2,(H,15,18) |
| InChIKey |
PWBMQGYKWADRQL-UHFFFAOYSA-N |
| Molecular Weight |
306.274 g/mol |
| SMILES |
C1(N(=O)=O)=CC=C(C=C1)COC(CC(CC1NC(C1)=O)=O)=O |
