Benzoic acid, 3,4,5-trihydroxy-, compound with N-cyclohexyl-N'-[[4-(1,1-dimethylethyl)phenyl]methyl]guanidine (1:1)

SpectraBase Compound ID	3koiD5kBeI7
InChI	InChI=1S/C18H29N3.C7H6O5/c1-18(2,3)15-11-9-14(10-12-15)13-20-17(19)21-16-7-5-4-6-8-16;8-4-1-3(7(11)12)2-5(9)6(4)10/h9-12,16H,4-8,13H2,1-3H3,(H3,19,20,21);1-2,8-10H,(H,11,12)
InChIKey	QLZAYCSRMQUILD-UHFFFAOYSA-N Google Search
Mol Weight	457.57 g/mol
Molecular Formula	C25H35N3O5
Exact Mass	457.257671 g/mol

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SpectraBase Spectrum ID	FwiTjiI0oho
Name	Benzoic acid, 3,4,5-trihydroxy-, compound with N-cyclohexyl-N'-[[4-(1,1-dimethylethyl)phenyl]methyl]guanidine (1:1)
CAS Registry Number	134230-66-3
Copyright	Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula	C25H35N3O5
InChI	InChI=1S/C18H29N3.C7H6O5/c1-18(2,3)15-11-9-14(10-12-15)13-20-17(19)21-16-7-5-4-6-8-16;8-4-1-3(7(11)12)2-5(9)6(4)10/h9-12,16H,4-8,13H2,1-3H3,(H3,19,20,21);1-2,8-10H,(H,11,12)
InChIKey	QLZAYCSRMQUILD-UHFFFAOYSA-N
Instrument Name	Bruker IFS 85
Synonyms	Guanidine, N-cyclohexyl-N'-[[4-(1,1-dimethylethyl)phenyl]methyl]-,mono(3,4,5-trihydroxybenzoate)
Technique	KBr-Pellet