SpectraBase Compound ID | 2WJBGxVyoYd |
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InChI | InChI=1S/C20H29NO6/c1-2-26-19(22)12-7-5-3-4-6-8-13-20(23)27-15-14-17-10-9-11-18(16-17)21(24)25/h9-11,16H,2-8,12-15H2,1H3 |
InChIKey | QPNWEVHCYGIAHG-UHFFFAOYSA-N |
Mol Weight | 379.45 g/mol |
Molecular Formula | C20H29NO6 |
Exact Mass | 379.199488 g/mol |
SpectraBase Spectrum ID | 7OactxJn4oF |
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Name | Sebacic acid, ethyl 2-(3-nitrophenyl)ethyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 379.199487652 u |
Formula | C20H29NO6 |
InChI | InChI=1S/C20H29NO6/c1-2-26-19(22)12-7-5-3-4-6-8-13-20(23)27-15-14-17-10-9-11-18(16-17)21(24)25/h9-11,16H,2-8,12-15H2,1H3 |
InChIKey | QPNWEVHCYGIAHG-UHFFFAOYSA-N |
Molecular Weight | 379.453 g/mol |
SMILES | C(CCCCCCC(OCC)=O)CC(OCCC1=CC(=CC=C1)N(=O)=O)=O |