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2-Butenedioic acid, 2-[(7-methoxy-2,2-dimethyl-2H-1-benzopyran-5-yl)amino]-, dimethyl ester
SpectraBase Compound ID K3UYqblRPLm
InChI InChI=1S/C18H21NO6/c1-18(2)7-6-12-13(8-11(22-3)9-15(12)25-18)19-14(17(21)24-5)10-16(20)23-4/h6-10,19H,1-5H3/b14-10+
InChIKey CITMSXHMSCQLET-GXDHUFHOSA-N
Mol Weight 347.37 g/mol
Molecular Formula C18H21NO6
Exact Mass 347.136887 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JU2bLUJpMjV
Name 2-Butenedioic acid, 2-[(7-methoxy-2,2-dimethyl-2H-1-benzopyran-5-yl)amino]-, dimethyl ester
CAS Registry Number 66385-09-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21NO6
InChI InChI=1S/C18H21NO6/c1-18(2)7-6-12-13(8-11(22-3)9-15(12)25-18)19-14(17(21)24-5)10-16(20)23-4/h6-10,19H,1-5H3/b14-10+
InChIKey CITMSXHMSCQLET-GXDHUFHOSA-N
Molecular Weight 347.367 g/mol
SMILES N(c1c2c(OC(C=C2)(C)C)cc(c1)OC)\C(=C\C(=O)OC)C(=O)OC
SPLASH splash10-0a5c-4339000000-a550d40657675eabce65
Source of Spectrum K-111-445-0
Synonyms Dimethyl (2E)-2-[(7-methoxy-2,2-dimethyl-2H-chromen-5-yl)amino]-2-butenedioate Dimethyl ester of (7-methoxy-2,2-dimethyl-2H-chromen-5-ylamino)fumaricacid
Wiley ID 1339998