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11-(3,5-Dicarboxyphenylcarbamoyl)undecylammoniumchloride

View entire compound with spectra: 1 MS (GC)

11-(3,5-Dicarboxyphenylcarbamoyl)undecylammoniumchloride
SpectraBase Compound ID FW02oqDTevt
InChI InChI=1S/C20H30N2O5.ClH/c21-11-9-7-5-3-1-2-4-6-8-10-18(23)22-17-13-15(19(24)25)12-16(14-17)20(26)27;/h12-14H,1-11,21H2,(H,22,23)(H,24,25)(H,26,27);1H
InChIKey YBLGYNCQTXWOHQ-UHFFFAOYSA-N
Mol Weight 414.93 g/mol
Molecular Formula C20H31ClN2O5
Exact Mass 414.19215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LPsmwr1r4fd
Name 11-(3,5-Dicarboxyphenylcarbamoyl)undecylammoniumchloride
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H31ClN2O5
InChI InChI=1S/C20H30N2O5.ClH/c21-11-9-7-5-3-1-2-4-6-8-10-18(23)22-17-13-15(19(24)25)12-16(14-17)20(26)27;/h12-14H,1-11,21H2,(H,22,23)(H,24,25)(H,26,27);1H
InChIKey YBLGYNCQTXWOHQ-UHFFFAOYSA-N
Molecular Weight 414.930 g/mol
SMILES [Cl-].OC(c1cc(cc(c1)C(=O)O)NC(CCCCCCCCCCC[NH3+])=O)=O
SPLASH splash10-00or-2329000000-e22959a5f4a6d53939bd
Source of Spectrum F-66-5465-8b
Wiley ID 1683562