Debug Info

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Jwq3GOPXdJT
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Jwq3GOPXdJT
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(S)-2-(1-phenyl-2,5-dioxopyrrolidin-3-yl)-2-methylpropanal
SpectraBase Compound ID xrNblVOtRx
InChI InChI=1S/C14H15NO3/c1-14(2,9-16)11-8-12(17)15(13(11)18)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t11-/m1/s1
InChIKey NXIZICACTDFXFY-LLVKDONJSA-N
Mol Weight 245.28 g/mol
Molecular Formula C14H15NO3
Exact Mass 245.105193 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jwq3GOPXdJT
Name (S)-2-(1-phenyl-2,5-dioxopyrrolidin-3-yl)-2-methylpropanal
Appearance Pale yellow crystals
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15NO3
InChI InChI=1S/C14H15NO3/c1-14(2,9-16)11-8-12(17)15(13(11)18)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t11-/m1/s1
InChIKey NXIZICACTDFXFY-LLVKDONJSA-N
Instrument Name Agilent 6890N-5973
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202000335
Molecular Weight 245.278 g/mol
Optical Rotation [a]D20 = -9.2 (c = 1, CHCl3)
SMILES C1(N(C(C[C@]1(C(C=O)(C)C)[H])=O)c1ccccc1)=O
SPLASH splash10-0gb9-9460000000-30b1c3d524dd33ffd0a2
Source of Spectrum ASC-362-SM65-(S)-11b
Wiley ID 1855502
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