Debug Info

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_id
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AKXzVHJ2SRN
spectrumID
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AKXzVHJ2SRN
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CNHS2X:51641:1
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analyticalTechnique
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13C NMR
analyticalTechniqueLongName
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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2-Butanone, 1-phenyl-, oxime
SpectraBase Compound ID H9IwLIO3z57
InChI InChI=1S/C10H13NO/c1-2-10(11-12)8-9-6-4-3-5-7-9/h3-7,12H,2,8H2,1H3/b11-10+
InChIKey UBQQQMMMFFWYGN-ZHACJKMWSA-N
Mol Weight 163.22 g/mol
Molecular Formula C10H13NO
Exact Mass 163.099714 g/mol
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AKXzVHJ2SRN
Name 2-Butanone, 1-phenyl-, oxime
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 163.099714042 u
Formula C10H13NO
InChI InChI=1S/C10H13NO/c1-2-10(11-12)8-9-6-4-3-5-7-9/h3-7,12H,2,8H2,1H3/b11-10+
InChIKey UBQQQMMMFFWYGN-ZHACJKMWSA-N
Molecular Weight 163.220 g/mol
SMILES C(\C(=N\O)CC)C=1C=CC=CC1
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