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Diisopropyl [3-(diethoxyphosphorylamino)-4-methyl-1-pentenyl]phosphonate
SpectraBase Compound ID FbNwsBFoet3
InChI InChI=1S/C16H35NO6P2/c1-9-20-25(19,21-10-2)17-16(13(3)4)11-12-24(18,22-14(5)6)23-15(7)8/h11-16H,9-10H2,1-8H3,(H,17,19)/b12-11+
InChIKey DQMRHMAZOBKXIF-VAWYXSNFSA-N
Mol Weight 399.4 g/mol
Molecular Formula C16H35NO6P2
Exact Mass 399.193962 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2872UZhrWua
Name Diisopropyl [3-(diethoxyphosphorylamino)-4-methyl-1-pentenyl]phosphonate
Comments Computed using HOSE algorithm
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Exact Mass 399.193961841 u
Formula C16H35NO6P2
InChI InChI=1S/C16H35NO6P2/c1-9-20-25(19,21-10-2)17-16(13(3)4)11-12-24(18,22-14(5)6)23-15(7)8/h11-16H,9-10H2,1-8H3,(H,17,19)/b12-11+
InChIKey DQMRHMAZOBKXIF-VAWYXSNFSA-N
Molecular Weight 399.405 g/mol
SMILES C(\C=C\P(=O)(OC(C)C)OC(C)C)(NP(=O)(OCC)OCC)C(C)C