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Orixalone C
SpectraBase Compound ID DiZSrkVtsEK
InChI InChI=1S/C16H17NO4/c1-9(2)12(18)8-11-15(21-4)10-6-5-7-13(20-3)14(10)17-16(11)19/h5-7H,1,8H2,2-4H3,(H,17,19)
InChIKey VFWNCZFTWWFXGW-UHFFFAOYSA-N
Mol Weight 287.31 g/mol
Molecular Formula C16H17NO4
Exact Mass 287.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HATqsMfBtb5
Name Orixalone C
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17NO4
InChI InChI=1S/C16H17NO4/c1-9(2)12(18)8-11-15(21-4)10-6-5-7-13(20-3)14(10)17-16(11)19/h5-7H,1,8H2,2-4H3,(H,17,19)
InChIKey VFWNCZFTWWFXGW-UHFFFAOYSA-N
Instrument Name JEOL HX-110/JEOL JMS-700
Ionization Type EI
Literature Reference DOI 10.1021/np0401462
Molecular Weight 287.315 g/mol
Reported Formula C16H17NO4
SMILES N1c2c(cccc2C(=C(C1=O)CC(C(C)=C)=O)OC)OC
SPLASH splash10-0frf-0090000000-b4d9495a2fd1fe77ce33
Source of Spectrum G4-67-1802-3
Wiley ID 1881577