Debug Info

object
{15}
_id
:
BIxpbrHHEAX
spectrumID
:
BIxpbrHHEAX
cost
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1
specType
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131072
xnmrNucleus
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0
dbLocation
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WMS3X:256500:1
hasStructureAssignments
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false
properties
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analyticalTechnique
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MS (GC)
analyticalTechniqueLongName
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Mass Spectrum (GC)
isFullSpectrum
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false
spectralOutlier
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false
compound
{10}
lastUpdated
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1735074081058
isDeprecated
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false

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N-(2,3-dihydroxypropyl)-(E)-3-(4-methoxyphenyl)acrylamide
SpectraBase Compound ID BzrhXGNmYdA
InChI InChI=1S/C13H17NO4/c1-18-12-5-2-10(3-6-12)4-7-13(17)14-8-11(16)9-15/h2-7,11,15-16H,8-9H2,1H3,(H,14,17)/b7-4+
InChIKey PTYHBZMENPSCQT-QPJJXVBHSA-N
Mol Weight 251.28 g/mol
Molecular Formula C13H17NO4
Exact Mass 251.115758 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BIxpbrHHEAX
Name N-(2,3-dihydroxypropyl)-(E)-3-(4-methoxyphenyl)acrylamide
Appearance White crystals
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO4
InChI InChI=1S/C13H17NO4/c1-18-12-5-2-10(3-6-12)4-7-13(17)14-8-11(16)9-15/h2-7,11,15-16H,8-9H2,1H3,(H,14,17)/b7-4+
InChIKey PTYHBZMENPSCQT-QPJJXVBHSA-N
Ionization Type EI
Molecular Weight 251.282 g/mol
SMILES OCC(CNC(\C=C\c1ccc(cc1)OC)=O)O
SPLASH splash10-03di-0910000000-7409563cc3e42be52367
Source of Spectrum US7863478B2
Thin-Layer Chromatography Rf = 0.28 (chloroform:methanol, 9:1)
Wiley ID 1861315
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