Debug Info

object
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_id
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5ZrClEvEFtE
spectrumID
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5ZrClEvEFtE
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specType
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MS (GC)
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Mass Spectrum (GC)
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alpha-Methylmandelic acid
SpectraBase Compound ID HbQiNkEdeUd
InChI InChI=1S/C9H10O3/c1-9(12,8(10)11)7-5-3-2-4-6-7/h2-6,12H,1H3,(H,10,11)
InChIKey NWCHELUCVWSRRS-UHFFFAOYSA-N
Mol Weight 166.18 g/mol
Molecular Formula C9H10O3
Exact Mass 166.062994 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ZrClEvEFtE
Name BENZENEACETIC ACID, alpha-HYDROXY-alpha-METHYL-
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C9H10O3
InChI InChI=1S/C9H10O3/c1-9(12,8(10)11)7-5-3-2-4-6-7/h2-6,12H,1H3,(H,10,11)
InChIKey NWCHELUCVWSRRS-UHFFFAOYSA-N
Instrument Name 311A
Molecular Weight 166.0627
SMILES OC(C(C)(O)c1ccccc1)=O
SPLASH splash10-0006-9300000000-7ca735af7808bea6d07f
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
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