4-(hexadecyloxy)-3-sulfobenzoic acid, 3-[(3-methyl-2-benzothiazolinylidene)hydrazide]

SpectraBase Compound ID	9H3vDgKmkwa
InChI	InChI=1S/C31H45N3O5S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-23-39-27-22-21-25(30(35)36)24-29(27)41(37,38)33-32-31-34(2)26-19-16-17-20-28(26)40-31/h16-17,19-22,24,33H,3-15,18,23H2,1-2H3,(H,35,36)/b32-31+
InChIKey	YAVMINMBNIITOY-QNEJGDQOSA-N Google Search
Mol Weight	603.8 g/mol
Molecular Formula	C31H45N3O5S2
Exact Mass	603.280064 g/mol

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SpectraBase Spectrum ID	7cLyo0VtiHK
Name	4-(HEXADECYLOXY)-3-SULFOBENZOIC ACID, 3-[(3-METHYL-2-BENZOTHIAZOLINYLIDENE)HYDRAZIDE]
Source of Sample	Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Catalog Number	S57858
Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C31H45N3O5S2
InChI	InChI=1S/C31H45N3O5S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-23-39-27-22-21-25(30(35)36)24-29(27)41(37,38)33-32-31-34(2)26-19-16-17-20-28(26)40-31/h16-17,19-22,24,33H,3-15,18,23H2,1-2H3,(H,35,36)/b32-31+
InChIKey	YAVMINMBNIITOY-QNEJGDQOSA-N
Molecular Weight	603.836975
Synonyms	BENZOIC ACID, 4-/HEXADECYLOXY/- 3-SULFO-, 3-//3-METHYL-2-BENZOTHIAZOL- INYLIDENE/HYDRAZIDE/
Technique	KBr WAFER