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N(A),17-O-DIACETYL-WIELAND-GUMLICH-ALDEHYDE
SpectraBase Compound ID IFZT7ppJjTM
InChI InChI=1S/C23H26N2O4/c1-13(26)25-18-6-4-3-5-17(18)23-8-9-24-12-15-7-10-28-22(29-14(2)27)20(21(23)25)16(15)11-19(23)24/h3-7,16,19-22H,8-12H2,1-2H3/t16-,19-,20+,21-,22-,23+/m0/s1
InChIKey ZRBMSORDEMTJNR-WABZUUDDSA-N
Mol Weight 394.47 g/mol
Molecular Formula C23H26N2O4
Exact Mass 394.189257 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID YvVvVRRR54
Name O,N-diacetyl-wieland-gumlich aldehyde
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H26N2O4
InChI InChI=1S/C23H26N2O4/c1-13(26)25-18-6-4-3-5-17(18)23-8-9-24-12-15-7-10-28-22(29-14(2)27)20(21(23)25)16(15)11-19(23)24/h3-7,16,19-22H,8-12H2,1-2H3/t16-,19-,20+,21-,22-,23+/m0/s1
InChIKey ZRBMSORDEMTJNR-WABZUUDDSA-N
Molecular Weight 394.471 g/mol
SMILES [C@]123[C@@](N(C(=O)C)c4c3cccc4)([C@@]3([C@](OC(=O)C)(OCC=C4[C@@]3(C[C@@]2(N(C4)CC1)[H])[H])[H])[H])[H]
SPLASH splash10-0006-0921000000-6283efb3688b7a4f1955
Source of Spectrum H-48-322-1
Synonyms (4R,12S,13R,14S,19R,21S)-11-acetyl-15-oxa-1,11-diazahexacyclo[16.3.1.0(4,12).0(4,21).0(5,10).0(13,19)]docosa-5,7,9,17-tetraen-14-yl acetate
Wiley ID 1366720