(4S,5R)-5-Allyl-2,2-dimethyl[1,3]dioxolane-4-carboxylic acid (6-Bromobenzo[1,3]dioxo-5-ylmethyl)but-3-enylamide

SpectraBase Compound ID	KpChaGFwA9q
InChI	InChI=1S/C21H26BrNO5/c1-5-7-9-23(12-14-10-17-18(11-15(14)22)26-13-25-17)20(24)19-16(8-6-2)27-21(3,4)28-19/h5-6,10-11,16,19H,1-2,7-9,12-13H2,3-4H3/t16-,19+/m1/s1
InChIKey	OWOCUCPIHVTFQK-APWZRJJASA-N Google Search
Mol Weight	452.35 g/mol
Molecular Formula	C21H26BrNO5
Exact Mass	451.099436 g/mol

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SpectraBase Spectrum ID	5PB36SsLJ0d
Name	(4S,5R)-5-Allyl-2,2-dimethyl[1,3]dioxolane-4-carboxylic acid (6-Bromobenzo[1,3]dioxo-5-ylmethyl)but-3-enylamide
Alternate Name(s)	(4S,5R)-N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-N-but-3-enyl-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolane-4-carboxamide (4S,5R)-N-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-N-but-3-enyl-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolane-4-carboxamide
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H26BrNO5
InChI	InChI=1S/C21H26BrNO5/c1-5-7-9-23(12-14-10-17-18(11-15(14)22)26-13-25-17)20(24)19-16(8-6-2)27-21(3,4)28-19/h5-6,10-11,16,19H,1-2,7-9,12-13H2,3-4H3/t16-,19+/m1/s1
InChIKey	OWOCUCPIHVTFQK-APWZRJJASA-N
Molecular Weight	452.345 g/mol
SMILES	[C@@]1(C(N(Cc2c(cc3c(c2)OCO3)Br)CCC=C)=O)(OC(C)(C)O[C@@]1(CC=C)[H])[H]
SPLASH	splash10-00di-3149000000-d2e2db8a153f79c1efcf
Source of Spectrum	F-70-10549-69
Wiley ID	1598117