Debug Info

object
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_id
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8BljhZvFnUK
spectrumID
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8BljhZvFnUK
cost
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specType
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131072
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dbLocation
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Mass Spectrum (GC)
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3-Benzoyl-4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)oxazolidin-2-one
SpectraBase Compound ID 93KjFvMY7ZZ
InChI InChI=1S/C17H10F13NO3/c18-12(19,13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)30)6-9-7-34-11(33)31(9)10(32)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKey VQRMUXUANVZORX-UHFFFAOYSA-N
Mol Weight 523.25 g/mol
Molecular Formula C17H10F13NO3
Exact Mass 523.045309 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8BljhZvFnUK
Name 3-Benzoyl-4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)oxazolidin-2-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H10F13NO3
InChI InChI=1S/C17H10F13NO3/c18-12(19,13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)30)6-9-7-34-11(33)31(9)10(32)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKey VQRMUXUANVZORX-UHFFFAOYSA-N
Molecular Weight 523.250 g/mol
SMILES C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(CC1N(C(=O)OC1)C(=O)c1ccccc1)(F)F)(F)F)(F)F
SPLASH splash10-0a4i-0900000000-9460f86fa2ecb9da41cc
Source of Spectrum F4-43-3631-4db
Wiley ID 1690641
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