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Adenine-9-propanoic acid, .alpha.-t-butoxycarbonylamino-
SpectraBase Compound ID 5C6sUQGeOHZ
InChI InChI=1S/C13H18N6O4/c1-13(2,3)23-12(22)18-7(11(20)21)4-19-6-17-8-9(14)15-5-16-10(8)19/h5-7H,4H2,1-3H3,(H,18,22)(H,20,21)(H2,14,15,16)
InChIKey AWHYYQLPUKLUPG-UHFFFAOYSA-N
Mol Weight 322.32 g/mol
Molecular Formula C13H18N6O4
Exact Mass 322.138953 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KjGI6cplllX
Name Adenine-9-propanoic acid, .alpha.-t-butoxycarbonylamino-
Alternate Name(s) 3-(6-Amino-9H-purin-9-yl)-N-(tert-butoxycarbonyl)alanine 3-(6-aminopurin-9-yl)-2-(tert-butoxycarbonylamino)propanoic acid 3-(6-aminopurin-9-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid 3-(6-aminopurin-9-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid 3-Adenin-9-yl-2-(tert-butoxycarbonylamino)propionic acid
CAS Registry Number 55387-36-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18N6O4
InChI InChI=1S/C13H18N6O4/c1-13(2,3)23-12(22)18-7(11(20)21)4-19-6-17-8-9(14)15-5-16-10(8)19/h5-7H,4H2,1-3H3,(H,18,22)(H,20,21)(H2,14,15,16)
InChIKey AWHYYQLPUKLUPG-UHFFFAOYSA-N
Molecular Weight 322.325 g/mol
SMILES Nc1c2c([n](CC(C(=O)O)NC(=O)OC(C)(C)C)cn2)ncn1
SPLASH splash10-0006-9100000000-4371082393ba28bb0a0c
Wiley ID 1483575