Debug Info

object
{15}
_id
:
CbTgDTH9teq
spectrumID
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CbTgDTH9teq
cost
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1
specType
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131072
xnmrNucleus
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dbLocation
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WMSL3X:13331:1
hasStructureAssignments
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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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compound
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lastUpdated
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1735074081058
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(4S)-4-Isopropyl-2-phenyl-4,5-dihydro-1,3-oxazole
SpectraBase Compound ID CDpajKrWAU6
InChI InChI=1S/C12H15NO/c1-9(2)11-8-14-12(13-11)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t11-/m1/s1
InChIKey QPADYYUBHQRRIR-LLVKDONJSA-N
Mol Weight 189.26 g/mol
Molecular Formula C12H15NO
Exact Mass 189.115364 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CbTgDTH9teq
Name (S)-4-isopropyl-2-phenyl-1,3-oxazoline
Appearance Colorless oil
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15NO
InChI InChI=1S/C12H15NO/c1-9(2)11-8-14-12(13-11)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t11-/m1/s1
InChIKey QPADYYUBHQRRIR-LLVKDONJSA-N
Instrument Name JEOL JMS-700
Ionization Type EI
Molecular Weight 189.258 g/mol
Optical Rotation 25[a]589 = -61.1 (c = 0.39, CH2Cl2)
Reported Formula C12H15NO
SMILES C=1(OC[C@@](N1)(C(C)C)[H])c1ccccc1
SPLASH splash10-000i-0900000000-3d22b8157ebfc3a97244
Source of Spectrum US20110098479A1
Wiley ID 1861761
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