SpectraBase Compound ID | DpftZBRlh9O |
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InChI | InChI=1S/C15H19NO6/c1-2-9-21-14(17)6-7-15(18)22-10-8-12-4-3-5-13(11-12)16(19)20/h3-5,11H,2,6-10H2,1H3 |
InChIKey | OERSCNCJQXXKSU-UHFFFAOYSA-N |
Mol Weight | 309.32 g/mol |
Molecular Formula | C15H19NO6 |
Exact Mass | 309.121237 g/mol |
SpectraBase Spectrum ID | IfA00nuZenz |
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Name | Succinic acid, 2-(3-nitrophenyl)ethyl propyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 309.121237330 u |
Formula | C15H19NO6 |
InChI | InChI=1S/C15H19NO6/c1-2-9-21-14(17)6-7-15(18)22-10-8-12-4-3-5-13(11-12)16(19)20/h3-5,11H,2,6-10H2,1H3 |
InChIKey | OERSCNCJQXXKSU-UHFFFAOYSA-N |
Molecular Weight | 309.318 g/mol |
SMILES | C(CCC(OCCC1=CC=CC(=C1)N(=O)=O)=O)(OCCC)=O |