Debug Info

object
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_id
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6QqrImK7Os4
spectrumID
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6QqrImK7Os4
cost
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specType
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131072
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analyticalTechnique
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Mass Spectrum (GC)
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compound
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3-(4-tert-butylphenyl)-4-deuterio-cyclobut-3-ene-1,2-dione
SpectraBase Compound ID 4LMiOGCTzVE
InChI InChI=1S/C14H14O2/c1-14(2,3)10-6-4-9(5-7-10)11-8-12(15)13(11)16/h4-8H,1-3H3/i8D
InChIKey KKGYUZNMEYMOGB-BNEYPBHNSA-N
Mol Weight 215.27 g/mol
Molecular Formula C14H132DO2
Exact Mass 215.105656 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6QqrImK7Os4
Name 3-(4-tert-butylphenyl)-4-deuterio-cyclobut-3-ene-1,2-dione
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13DO2
InChI InChI=1S/C14H14O2/c1-14(2,3)10-6-4-9(5-7-10)11-8-12(15)13(11)16/h4-8H,1-3H3/i8D
InChIKey KKGYUZNMEYMOGB-BNEYPBHNSA-N
Molecular Weight 215.270 g/mol
SMILES C1(=C([2D])C(C1=O)=O)c1ccc(C(C)(C)C)cc1
SPLASH splash10-0006-0900000000-5dabd5fece382de05cef
Source of Spectrum J-61-2093-15
Synonyms 3-(4-tert-butylphenyl)-4-deuterio-cyclobut-3-ene-1,2-quinone
Wiley ID 1214054
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