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2H-1,4-Benzoxazine, acetic acid deriv.
SpectraBase Compound ID 2KNW4UCmW1l
InChI InChI=1S/C13H12ClNO4/c1-7(2)18-13(17)10(14)11-12(16)15-8-5-3-4-6-9(8)19-11/h3-7H,1-2H3,(H,15,16)/b11-10-
InChIKey BJYTZVSMFBLZQT-KHPPLWFESA-N
Mol Weight 281.69 g/mol
Molecular Formula C13H12ClNO4
Exact Mass 281.045486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9icD326R4CK
Name 2H-1,4-Benzoxazine, acetic acid deriv.
CAS Registry Number 106660-18-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12ClNO4
InChI InChI=1S/C13H12ClNO4/c1-7(2)18-13(17)10(14)11-12(16)15-8-5-3-4-6-9(8)19-11/h3-7H,1-2H3,(H,15,16)/b11-10-
InChIKey BJYTZVSMFBLZQT-KHPPLWFESA-N
Molecular Weight 281.695 g/mol
SMILES N1c2c(O\C(C1=O)=C/(C(OC(C)C)=O)Cl)cccc2
SPLASH splash10-00ea-0390000000-ac306f1545ec54577cbb
Source of Spectrum B-39-510-3
Synonyms Acetic acid, chloro(3,4-dihydro-3-oxo-2H-1,4-benzoxazin-2-ylidene)-, 1-methylethyl ester, (Z)- isopropyl (2Z)-chloro(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene)ethanoate Isopropyl (Z)-chloro-(3'-oxo-3',4'-dihydro-2'h-1',4'-benzoxazin-2'ylidene)acetate
Wiley ID 1284700