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ADB-BUTINAATA

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

ADB-BUTINAATA
SpectraBase Compound ID D1xXb7Rnmkv
InChI InChI=1S/C19H28N4O2/c1-5-6-11-23-15-10-8-7-9-13(15)14(22-23)12-16(24)21-17(18(20)25)19(2,3)4/h7-10,17H,5-6,11-12H2,1-4H3,(H2,20,25)(H,21,24)/t17-/m1/s1
InChIKey IVLNLVKDTBQFAN-QGZVFWFLSA-N
Mol Weight 344.46 g/mol
Molecular Formula C19H28N4O2
Exact Mass 344.221226 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Au3InJ16Iar
Name ADB-BUTINAATA
Catalog Number 36014
Lot Number 635249
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 344.221226156 u
Formula C19H28N4O2
InChI InChI=1S/C19H28N4O2/c1-5-6-11-23-15-10-8-7-9-13(15)14(22-23)12-16(24)21-17(18(20)25)19(2,3)4/h7-10,17H,5-6,11-12H2,1-4H3,(H2,20,25)(H,21,24)/t17-/m1/s1
InChIKey IVLNLVKDTBQFAN-QGZVFWFLSA-N
Molecular Weight 344.459 g/mol
Purity >=98%
Quality 986
SMILES N(C(CC1=NN(CCCC)C2=C1C=CC=C2)=O)[C@](C(N)=O)(C(C)(C)C)[H]
SPLASH splash10-00kr-3942000000-efcf5cce563f73ec988d
Source of Spectrum CAY-2024-2251-0
Synonyms 7-ADD (S)-2-(2-(1-butyl-1H-indazol-3-yl)acetamido)-3,3-dimethylbutanamide (2S)-2-[2-(1-butyl-1H-indazol-3-yl)acetamido]-3,3-dimethylbutanamide
Wiley ID 1890436