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4-[hexyl(dimethyl)ammonio]-1-butanesulfonate
SpectraBase Compound ID 8QRhmiGC8wb
InChI InChI=1S/C12H27NO3S/c1-4-5-6-7-10-13(2,3)11-8-9-12-17(14,15)16/h4-12H2,1-3H3
InChIKey SSHOHXHTTIZQFQ-UHFFFAOYSA-N
Mol Weight 265.41 g/mol
Molecular Formula C12H27NO3S
Exact Mass 265.171165 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KxQTdn2xSMN
Name 4-[hexyl(dimethyl)ammonio]-1-butanesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H27NO3S
InChI InChI=1S/C12H27NO3S/c1-4-5-6-7-10-13(2,3)11-8-9-12-17(14,15)16/h4-12H2,1-3H3
InChIKey SSHOHXHTTIZQFQ-UHFFFAOYSA-N
Molecular Weight 265.412 g/mol
SMILES C(S([O-])(=O)=O)CCC[N+](CCCCCC)(C)C
SPLASH splash10-004i-0900000000-a82d90852a270e661672
Source of Spectrum SO-0-2437-13
Synonyms 4-[hexyl(dimethyl)ammonio]butane-1-sulfonate 4-[hexyl(dimethyl)azaniumyl]butane-1-sulfonate
Wiley ID 863641