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5-[(1E)-1-(3,7-Dimethyl-2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pent-1-en-1-yl]-N,2-dimethoxy-3-methylbenzenecarboximidoyl Chloride

View entire compound with spectra: 1 MS (GC)

5-[(1E)-1-(3,7-Dimethyl-2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pent-1-en-1-yl]-N,2-dimethoxy-3-methylbenzenecarboximidoyl Chloride
SpectraBase Compound ID IPMdti7NHna
InChI InChI=1S/C27H29ClN4O5/c1-15-11-18(13-21(24(15)34-5)26(28)31-35-6)20(9-7-8-10-23-29-17(3)30-37-23)19-12-16(2)25-22(14-19)32(4)27(33)36-25/h9,11-14H,7-8,10H2,1-6H3/b20-9+,31-26?
InChIKey XINQWMOXKAUEAW-QLFVRAPFSA-N
Mol Weight 525.01 g/mol
Molecular Formula C27H29ClN4O5
Exact Mass 524.182648 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BtG8BsPOzDy
Name 5-[(1E)-1-(3,7-Dimethyl-2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pent-1-en-1-yl]-N,2-dimethoxy-3-methylbenzenecarboximidoyl Chloride
Appearance Oil
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H29ClN4O5
InChI InChI=1S/C27H29ClN4O5/c1-15-11-18(13-21(24(15)34-5)26(28)31-35-6)20(9-7-8-10-23-29-17(3)30-37-23)19-12-16(2)25-22(14-19)32(4)27(33)36-25/h9,11-14H,7-8,10H2,1-6H3/b20-9+,31-26?
InChIKey XINQWMOXKAUEAW-QLFVRAPFSA-N
Ionization Type EI
Molecular Weight 525.005 g/mol
Reported Formula C27H29(35)ClN4O5
SMILES c1c(c(c(cc1\C(=C/CCCc1nc(no1)C)c1cc2c(c(c1)C)OC(N2C)=O)C)OC)C(Cl)=NOC
SPLASH splash10-0a4i-1103900000-f7937a7f646814c5d49c
Source of Spectrum US20170267667A1
Wiley ID 1866072