Debug Info

object
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_id
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2d22l8QXonK
spectrumID
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2d22l8QXonK
cost
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specType
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131072
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analyticalTechnique
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MS (GC)
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Mass Spectrum (GC)
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compound
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1735074081058
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3-Bromo-4-(4,4-dimethyl-4,5-dihydroxazol-2-yl)-4-hydroxy-5-methoxy-4H-naphthalen-1-one
SpectraBase Compound ID KWx8QlXXDhN
InChI InChI=1S/C16H16BrNO4/c1-15(2)8-22-14(18-15)16(20)12(17)7-10(19)9-5-4-6-11(21-3)13(9)16/h4-7,20H,8H2,1-3H3/t16-/m0/s1
InChIKey MLXKKSSXGLJWMF-INIZCTEOSA-N
Mol Weight 366.21 g/mol
Molecular Formula C16H16BrNO4
Exact Mass 365.026271 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2d22l8QXonK
Name 3-Bromo-4-(4,4-dimethyl-4,5-dihydroxazol-2-yl)-4-hydroxy-5-methoxy-4H-naphthalen-1-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16BrNO4
InChI InChI=1S/C16H16BrNO4/c1-15(2)8-22-14(18-15)16(20)12(17)7-10(19)9-5-4-6-11(21-3)13(9)16/h4-7,20H,8H2,1-3H3/t16-/m0/s1
InChIKey MLXKKSSXGLJWMF-INIZCTEOSA-N
Molecular Weight 366.211 g/mol
SMILES O[C@]1(C2=NC(C)(C)CO2)c2c(cccc2OC)C(C=C1Br)=O
SPLASH splash10-0019-0792000000-22f76eb778232c04849a
Source of Spectrum J-66-7533-3
Wiley ID 1568391
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