Debug Info

object
{15}
_id
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Ihq6iN3RTrC
spectrumID
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Ihq6iN3RTrC
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specType
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dbLocation
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analyticalTechnique
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Mass Spectrum (GC)
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compound
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4-Bromo-1,3,4-trimethyl-1,3-cyclohexanecarbolactone
SpectraBase Compound ID KXYmAFtOsbP
InChI InChI=1S/C10H15BrO2/c1-8-4-5-9(2,11)10(3,6-8)13-7(8)12/h4-6H2,1-3H3
InChIKey QGSXOLNPQNPDJD-UHFFFAOYSA-N
Mol Weight 247.13 g/mol
Molecular Formula C10H15BrO2
Exact Mass 246.025543 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ihq6iN3RTrC
Name 4-Bromo-1,3,4-trimethyl-1,3-cyclohexanecarbolactone
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H15BrO2
InChI InChI=1S/C10H15BrO2/c1-8-4-5-9(2,11)10(3,6-8)13-7(8)12/h4-6H2,1-3H3
InChIKey QGSXOLNPQNPDJD-UHFFFAOYSA-N
Molecular Weight 247.132 g/mol
SMILES C12(OC(=O)C(C2)(CCC1(Br)C)C)C
SPLASH splash10-0229-0900000000-b249b4650e39a4c1373d
Source of Spectrum KC-1978-1076-0
Synonyms 4-Bromo-1,4,5-trimethyl-6-oxabicyclo[3.2.1]octan-7-one
Wiley ID 1248470
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