Debug Info

object
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_id
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5J90SZoYaEx
spectrumID
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5J90SZoYaEx
cost
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specType
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131072
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WMSL3X:13330:1
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analyticalTechnique
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Mass Spectrum (GC)
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compound
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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 5J90SZoYaEx
Name (4S)-4-Isopropyl-2-phenyl-4,5-dihydro-1,3-oxazole
Comments Less than 3 mono-isotopic peaks
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
Molecular Weight 189.258 g/mol
SMILES C1(=N[C@](CO1)(C(C)C)[H])c1ccccc1
SPLASH splash10-014r-0900000000-6e9d37b0cd77be84d5b4
Source of Spectrum KC-0-341-29
Synonyms (4S)-2-phenyl-4-propan-2-yl-4,5-dihydrooxazole (4S)-4-isopropyl-2-phenyl-4,5-dihydrooxazole (4S)-2-phenyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole
Wiley ID 785086
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