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3-[(15-Carboxypentadecanoyl)oxy]-4-(trimethylammonio)butanoate
SpectraBase Compound ID 7aQ9OOPnej7
InChI InChI=1S/C23H43NO6/c1-24(2,3)19-20(18-22(27)28)30-23(29)17-15-13-11-9-7-5-4-6-8-10-12-14-16-21(25)26/h20H,4-19H2,1-3H3,(H-,25,26,27,28)
InChIKey UNHCPLSWMNPZTD-UHFFFAOYSA-N
Mol Weight 429.6 g/mol
Molecular Formula C23H43NO6
Exact Mass 429.309038 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3G32ctbOK0n
Name 3-[(15-Carboxypentadecanoyl)oxy]-4-(trimethylammonio)butanoate
Alternate Name(s) 3-(16-hydroxy-16-oxohexadecanoyl)oxy-4-(trimethylazaniumyl)butanoate 3-(16-oxidanyl-16-oxidanylidene-hexadecanoyl)oxy-4-(trimethylazaniumyl)butanoate 3-(15-carboxy-1-oxopentadecoxy)-4-(trimethylammonio)butanoate 3-(15-carboxypentadecanoyloxy)-4-(trimethylazaniumyl)butanoate 3-(15-carboxypentadecanoyloxy)-4-(trimethylammonio)butanoate
CAS Registry Number 55570-92-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H43NO6
InChI InChI=1S/C23H43NO6/c1-24(2,3)19-20(18-22(27)28)30-23(29)17-15-13-11-9-7-5-4-6-8-10-12-14-16-21(25)26/h20H,4-19H2,1-3H3,(H-,25,26,27,28)
InChIKey UNHCPLSWMNPZTD-UHFFFAOYSA-N
Molecular Weight 429.598 g/mol
SMILES OC(CCCCCCCCCCCCCCC(OC(C[N+](C)(C)C)CC([O-])=O)=O)=O
SPLASH splash10-0a5d-9000000000-797510da690d12a78099
Source of Spectrum AB-306-5-1
Wiley ID 1381185