Debug Info

object
{15}
_id
:
297uPDuNu2g
spectrumID
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297uPDuNu2g
cost
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1
specType
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131072
xnmrNucleus
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dbLocation
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WMS3X:428839:1
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properties
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analyticalTechnique
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MS (GC)
analyticalTechniqueLongName
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Mass Spectrum (GC)
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compound
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(4R,5S)-5-(4-methoxyphenyl)-4-phenyl-5-(trifluoromethyl)dihydrofuran-2(3H)-one
SpectraBase Compound ID ARgMJPXpirM
InChI InChI=1S/C18H15F3O3/c1-23-14-9-7-13(8-10-14)17(18(19,20)21)15(11-16(22)24-17)12-5-3-2-4-6-12/h2-10,15H,11H2,1H3/t15-,17-/m1/s1
InChIKey AZWVWQAXPRGNFO-NVXWUHKLSA-N
Mol Weight 336.31 g/mol
Molecular Formula C18H15F3O3
Exact Mass 336.097329 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 297uPDuNu2g
Name (4R,5S)-5-(4-methoxyphenyl)-4-phenyl-5-(trifluoromethyl)dihydrofuran-2(3H)-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H15F3O3
InChI InChI=1S/C18H15F3O3/c1-23-14-9-7-13(8-10-14)17(18(19,20)21)15(11-16(22)24-17)12-5-3-2-4-6-12/h2-10,15H,11H2,1H3/t15-,17-/m1/s1
InChIKey AZWVWQAXPRGNFO-NVXWUHKLSA-N
Literature Reference DOI 10.1002/adsc.200800051
Molecular Weight 336.310 g/mol
SMILES [C@]1(C(F)(F)F)(c2ccc(cc2)OC)[C@](CC(O1)=O)(c1ccccc1)[H]
SPLASH splash10-0udi-1901000000-577d2b8269d96f68cc8d
Source of Spectrum ASC-350-984/SM15-unlike_3f
Wiley ID 1766233
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