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N-{2-[1-N-(Benzyloxycarbonyl)aminoethyl]-4H-3,1-benzoxazin-4-ylidene}benzoic acid methyl ester
SpectraBase Compound ID 1bTQyS4TJCq
InChI InChI=1S/C26H23N3O5/c1-17(27-26(31)33-16-18-10-4-3-5-11-18)23-28-21-14-8-6-12-19(21)24(34-23)29-22-15-9-7-13-20(22)25(30)32-2/h3-15,17H,16H2,1-2H3,(H,27,31)/b29-24-
InChIKey ZNPNQEGWYWGQRL-OLFWJLLRSA-N
Mol Weight 457.49 g/mol
Molecular Formula C26H23N3O5
Exact Mass 457.163771 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CqUXgGegw5A
Name N-{2-[1-N-(Benzyloxycarbonyl)aminoethyl]-4H-3,1-benzoxazin-4-ylidene}benzoic acid methyl ester
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H23N3O5
InChI InChI=1S/C26H23N3O5/c1-17(27-26(31)33-16-18-10-4-3-5-11-18)23-28-21-14-8-6-12-19(21)24(34-23)29-22-15-9-7-13-20(22)25(30)32-2/h3-15,17H,16H2,1-2H3,(H,27,31)/b29-24-
InChIKey ZNPNQEGWYWGQRL-OLFWJLLRSA-N
Molecular Weight 457.486 g/mol
SMILES N(C(=O)OCc1ccccc1)C(C=1O\C(=N/c2c(C(=O)OC)cccc2)c2c(N1)cccc2)C
SPLASH splash10-004i-0090000000-436e466a5f45b8c99f42
Source of Spectrum J-66-2787-22
Wiley ID 1535042