SpectraBase Compound ID | ALsqeTVfbZF |
---|---|
InChI | InChI=1S/C16H21NO6/c1-2-3-11-22-15(18)5-4-6-16(19)23-12-13-7-9-14(10-8-13)17(20)21/h7-10H,2-6,11-12H2,1H3 |
InChIKey | AKALDSUGBFSLAE-UHFFFAOYSA-N |
Mol Weight | 323.35 g/mol |
Molecular Formula | C16H21NO6 |
Exact Mass | 323.136887 g/mol |
SpectraBase Spectrum ID | Ho9ooq95S1T |
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Name | Glutaric acid, butyl 4-nitrobenzyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 323.136887394 u |
Formula | C16H21NO6 |
InChI | InChI=1S/C16H21NO6/c1-2-3-11-22-15(18)5-4-6-16(19)23-12-13-7-9-14(10-8-13)17(20)21/h7-10H,2-6,11-12H2,1H3 |
InChIKey | AKALDSUGBFSLAE-UHFFFAOYSA-N |
Molecular Weight | 323.345 g/mol |
SMILES | C(OCC1=CC=C(C=C1)N(=O)=O)(=O)CCCC(OCCCC)=O |