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7-t-butylcarbamoylamino-4-chloro-3-ethoxyisocoumarin
SpectraBase Compound ID CvQJ9U04P00
InChI InChI=1S/C16H19ClN2O4/c1-5-22-14-12(17)10-7-6-9(8-11(10)13(20)23-14)18-15(21)19-16(2,3)4/h6-8H,5H2,1-4H3,(H2,18,19,21)
InChIKey YVKXZZMVUZONRP-UHFFFAOYSA-N
Mol Weight 338.79 g/mol
Molecular Formula C16H19ClN2O4
Exact Mass 338.103335 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cx65aJ9O6n8
Name 7-t-butylcarbamoylamino-4-chloro-3-ethoxyisocoumarin
Alternate Name(s) N-(tert-butyl)-N'-(4-chloro-3-ethoxy-1-oxo-1H-2-benzopyran-7-yl)urea 1-tert-Butyl-3-(4-chloro-3-ethoxy-1-oxo-2-benzopyran-7-yl)urea 1-tert-Butyl-3-(4-chloro-3-ethoxy-1-oxoisochromen-7-yl)urea 1-tert-Butyl-3-(4-chloro-3-ethoxy-1-oxo-isochromen-7-yl)urea 1-tert-Butyl-3-(4-chloranyl-3-ethoxy-1-oxidanylidene-isochromen-7-yl)urea
CAS Registry Number 120218-95-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19ClN2O4
InChI InChI=1S/C16H19ClN2O4/c1-5-22-14-12(17)10-7-6-9(8-11(10)13(20)23-14)18-15(21)19-16(2,3)4/h6-8H,5H2,1-4H3,(H2,18,19,21)
InChIKey YVKXZZMVUZONRP-UHFFFAOYSA-N
Molecular Weight 338.791 g/mol
SMILES N(C(NC(C)(C)C)=O)c1ccc2C(=C(OC(=O)c2c1)OCC)Cl
SPLASH splash10-03di-1491000000-64b8238d89dad52296e2
Source of Spectrum GT-1992-52-0
Wiley ID 1333511