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ASTIN-G
SpectraBase Compound ID 3csstxSlP99
InChI InChI=1S/C25H35N5O6/c1-3-16-22(33)29-19(14-31)23(34)28-18(15-9-6-5-7-10-15)13-21(32)26-17(4-2)25(36)30-12-8-11-20(30)24(35)27-16/h5-7,9-10,16-20,31H,3-4,8,11-14H2,1-2H3,(H,26,32)(H,27,35)(H,28,34)(H,29,33)/t16-,17+,18+,19-,20-/m0/s1
InChIKey QVPGTVRJQRWWFX-MDMHHNQBSA-N
Mol Weight 501.6 g/mol
Molecular Formula C25H35N5O6
Exact Mass 501.258734 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2ZdRW09d4Q4
Name ASTIN-G
Compound Number 2
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C25H35N5O6/c1-3-16-22(33)29-19(14-31)23(34)28-18(15-9-6-5-7-10-15)13-21(32)26-17(4-2)25(36)30-12-8-11-20(30)24(35)27-16/h5-7,9-10,16-20,31H,3-4,8,11-14H2,1-2H3,(H,26,32)(H,27,35)(H,28,34)(H,29,33)/t16-,17+,18+,19-,20-/m0/s1
InChIKey QVPGTVRJQRWWFX-MDMHHNQBSA-N
Literature Reference H.MORITA,S.NAGASHIMA,K.TAKEYA,H.ITOKAWA HETEROCYCLES,38,2247(1994)
Solvent Dimethyl sulfoxide-d6
Technique SELECTIVE DECOUPLING; C/H SHIFT CORRELATION