Debug Info

object
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_id
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Gr3HumehW4q
spectrumID
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Gr3HumehW4q
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specType
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131072
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WMSL3X:80252:1
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MS (GC)
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Mass Spectrum (GC)
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compound
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Methyl 6-bromomethyl-3-formyl-2,4-dihydroxybenzoate
SpectraBase Compound ID L42zgMEEJaV
InChI InChI=1S/C10H9BrO5/c1-16-10(15)8-5(3-11)2-7(13)6(4-12)9(8)14/h2,4,13-14H,3H2,1H3
InChIKey RDYYOHLJLXNXBS-UHFFFAOYSA-N
Mol Weight 289.08 g/mol
Molecular Formula C10H9BrO5
Exact Mass 287.963336 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gr3HumehW4q
Name methyl 6-bromomethyl-3-formyl-2,4-dihydroxybenzoate
CAS Registry Number 114973-09-0
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H9BrO5
InChI InChI=1S/C10H9BrO5/c1-16-10(15)8-5(3-11)2-7(13)6(4-12)9(8)14/h2,4,13-14H,3H2,1H3
InChIKey RDYYOHLJLXNXBS-UHFFFAOYSA-N
Molecular Weight 289.081 g/mol
SMILES Oc1cc(c(c(c1C=O)O)C(=O)OC)CBr
SPLASH splash10-0a4i-0090000000-85885b7010d6af27f24f
Source of Spectrum B-40-1848-26
Synonyms 6-Bromomethyl-3-formyl-2,4-dihydroxy-benzoic acid methyl ester
Wiley ID 1291193
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