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Benzonatate

View entire compound with spectra: 2 FTIR, 1 Raman, and 1 MS (GC)

Benzonatate
SpectraBase Compound ID C0ksT5eWVDz
InChI InChI=1S/C30H53NO11/c1-3-4-9-31-29-7-5-28(6-8-29)30(32)42-27-26-41-25-24-40-23-22-39-21-20-38-19-18-37-17-16-36-15-14-35-13-12-34-11-10-33-2/h5-8,31H,3-4,9-27H2,1-2H3
InChIKey MAFMQEKGGFWBAB-UHFFFAOYSA-N
Mol Weight 603.8 g/mol
Molecular Formula C30H53NO11
Exact Mass 603.361862 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JWl1cy1gCHU
Name 3,6,9,12,15,18,21,24,27-Nonaoxaoctacos-1-yl 4-(butylamino)benzoate
CAS Registry Number 104-31-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H53NO11
InChI InChI=1S/C30H53NO11/c1-3-4-9-31-29-7-5-28(6-8-29)30(32)42-27-26-41-25-24-40-23-22-39-21-20-38-19-18-37-17-16-36-15-14-35-13-12-34-11-10-33-2/h5-8,31H,3-4,9-27H2,1-2H3
InChIKey MAFMQEKGGFWBAB-UHFFFAOYSA-N
Molecular Weight 603.750 g/mol
SMILES N(CCCC)c1ccc(cc1)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC
SPLASH splash10-057i-4900000000-6c7a073c94987566c0ca
Source of Spectrum JZ-1992-1460-0
Synonyms 2,5,8,11,14,17,20,23,26-Nonaoxaoctacosan-28-yl p-(butylamino)benzoate 2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-(butylamino)benzoate 4-(butylamino)benzoic acid 2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl ester Benzoic acid, 4-(butylamino)-, 2,5,8,11,14,17,20,23,26-nonaoxaoctacos-28-yl ester Benzoic acid, 4-(butylamino)-, 3,6,9,12,15,18,21,24,27-nonaoxaoctacos-1-yl ester Benzoic acid, p-(butylamino)-, 2-(2-(2-(2-(2-(2-(2-(2-(2-methoxyethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethyl ester Benzonatate Benzonatato Benzonatatum Benzononantin Benzononatine Exangit KM65 Nonaethyleneglycol-p-n-butylaminobenzoate methyl ester p-(n)-Butylaminobenzoesaeure-(nonaaethylenglykol-monomethylaether)-ester Polyethyleneglycol-p-n-butylaminobenzoate methyl ester Tesalon Tessalin Tessalon Tessalon perles Tessalon-ciba Ventussin Ventussin-loz EINECS 203-194-7
Wiley ID 1410378