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Benzothiazolium, 2-(2-ethoxyprop-2-enyl)-5-methoxy-3-(3-sulfonatopropyl)-
SpectraBase Compound ID CvjI1onGMKf
InChI InChI=1S/C16H21NO5S2/c1-4-22-12(2)10-16-17(8-5-9-24(18,19)20)14-11-13(21-3)6-7-15(14)23-16/h6-7,10-11H,4-5,8-9H2,1-3H3/b12-10-
InChIKey BPBCWOYOESHQJU-BENRWUELSA-N
Mol Weight 371.47 g/mol
Molecular Formula C16H21NO5S2
Exact Mass 371.086115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JFenVAVwC1R
Name Benzothiazolium, 2-(2-ethoxyprop-2-enyl)-5-methoxy-3-(3-sulfonatopropyl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21NO5S2
InChI InChI=1S/C16H21NO5S2/c1-4-22-12(2)10-16-17(8-5-9-24(18,19)20)14-11-13(21-3)6-7-15(14)23-16/h6-7,10-11H,4-5,8-9H2,1-3H3/b12-10-
InChIKey BPBCWOYOESHQJU-BENRWUELSA-N
Molecular Weight 371.466 g/mol
SMILES c12cc(ccc2sc([n+]1CCCS(=O)([O-])=O)\C=C\(C)OCC)OC
SPLASH splash10-01ox-9760000000-3027597094a7c78cbacd
Synonyms 3-[2-[(Z)-2-ethoxyprop-1-enyl]-5-methoxy-1,3-benzothiazol-3-ium-3-yl]-1-propanesulfonate 3-[2-[(Z)-2-ethoxyprop-1-enyl]-5-methoxy-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate
Wiley ID 1440106