Debug Info

object
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_id
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Ai2gxat7scK
spectrumID
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Ai2gxat7scK
cost
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properties
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analyticalTechnique
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Mass Spectrum (GC)
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compound
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(+-)-(2S,3R)-2-[2-(4-bromophenyl)-2-oxoethyl]tetrahydro-2H-3-pyranyl acetate
SpectraBase Compound ID HRgAvBe8YNX
InChI InChI=1S/C15H17BrO4/c1-10(17)20-14-3-2-8-19-15(14)9-13(18)11-4-6-12(16)7-5-11/h4-7,14-15H,2-3,8-9H2,1H3/t14-,15+/m1/s1
InChIKey SJRONPIXBFWUBB-CABCVRRESA-N
Mol Weight 341.2 g/mol
Molecular Formula C15H17BrO4
Exact Mass 340.031022 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ai2gxat7scK
Name (+-)-(2S,3R)-2-[2-(4-Bromophenyl)-2-oxoethyl]tetrahydro-2H-3-pyranyl acetate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H17BrO4
InChI InChI=1S/C15H17BrO4/c1-10(17)20-14-3-2-8-19-15(14)9-13(18)11-4-6-12(16)7-5-11/h4-7,14-15H,2-3,8-9H2,1H3/t14-,15+/m1/s1
InChIKey SJRONPIXBFWUBB-CABCVRRESA-N
Molecular Weight 341.201 g/mol
SMILES C(C(c1ccc(cc1)Br)=O)[C@]1([C@](OC(=O)C)(CCCO1)[H])[H]
SPLASH splash10-0016-8920000000-53b252d207aca09a3f17
Source of Spectrum F-70-8349-15
Synonyms (2S,3R)-2-[2-(4-bromophenyl)-2-oxoethyl]tetrahydro-2H-pyran-3-yl acetate
Wiley ID 1597643
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