Benzoic acid 3,3-dihydroxy-6-(7-methoxybenzo[1,3]dioxol-5-yl)-5-methoxycarbonylaminocyclohexyl ester

SpectraBase Compound ID	ERC9t9tISli
InChI	InChI=1S/C23H25NO9/c1-29-16-8-14(9-17-20(16)32-12-31-17)19-15(24-22(26)30-2)10-23(27,28)11-18(19)33-21(25)13-6-4-3-5-7-13/h3-9,15,18-19,27-28H,10-12H2,1-2H3,(H,24,26)
InChIKey	VFYQQJXBLZIVBS-UHFFFAOYSA-N Google Search
Mol Weight	459.45 g/mol
Molecular Formula	C23H25NO9
Exact Mass	459.152931 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	8np8cJWO99l
Name	Benzoic acid 3,3-dihydroxy-6-(7-methoxybenzo[1,3]dioxol-5-yl)-5-methoxycarbonylaminocyclohexyl ester
Alternate Name(s)	5,5-Dihydroxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-3-[(methoxycarbonyl)amino]cyclohexyl benzoate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C23H25NO9
InChI	InChI=1S/C23H25NO9/c1-29-16-8-14(9-17-20(16)32-12-31-17)19-15(24-22(26)30-2)10-23(27,28)11-18(19)33-21(25)13-6-4-3-5-7-13/h3-9,15,18-19,27-28H,10-12H2,1-2H3,(H,24,26)
InChIKey	VFYQQJXBLZIVBS-UHFFFAOYSA-N
Molecular Weight	459.451 g/mol
SMILES	N(C1C(C(CC(C1)(O)O)OC(c1ccccc1)=O)c1cc2OCOc2c(c1)OC)C(=O)OC
SPLASH	splash10-00di-0940000000-e5e894b5bb6dc880e260
Source of Spectrum	F-69-119-38
Wiley ID	1594438