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N,2-Dimethoxy-5-[(1Z)-1-(3-methoxy-7-methyl-1,2-benzoxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-en-1-yl]-3-methylbenzenecarboximidoyl Chloride
SpectraBase Compound ID LREzk1qEo7V
InChI InChI=1S/C27H29ClN4O5/c1-15-11-18(13-21(24(15)33-4)26(28)31-35-6)20(9-7-8-10-23-30-29-17(3)36-23)19-12-16(2)25-22(14-19)27(34-5)32-37-25/h9,11-14H,7-8,10H2,1-6H3/b20-9+,31-26?
InChIKey CZOFYNOJNARIIL-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 4o3sH3EY7fO
Name N,2-Dimethoxy-5-[(1Z)-1-(3-methoxy-7-methyl-1,2-benzoxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-en-1-yl]-3-methylbenzenecarboximidoyl Chloride
Appearance Clear oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H29ClN4O5
InChI InChI=1S/C27H29ClN4O5/c1-15-11-18(13-21(24(15)33-4)26(28)31-35-6)20(9-7-8-10-23-30-29-17(3)36-23)19-12-16(2)25-22(14-19)27(34-5)32-37-25/h9,11-14H,7-8,10H2,1-6H3/b20-9+,31-26?
InChIKey CZOFYNOJNARIIL-QLFVRAPFSA-N
Ionization Type EI
Molecular Weight 525.005 g/mol
Reported Formula C27H29(35)ClN4O5
SMILES c1c(c(c(cc1\C(=C/CCCc1nnc(o1)C)c1cc2c(c(c1)C)onc2OC)C)OC)C(Cl)=NOC
SPLASH splash10-056s-4002900000-7d08f01d1a4d5d4d5fa5
Source of Spectrum US20170267667A1
Wiley ID 1866074