Debug Info

object
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_id
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AYHKGxeTXUO
spectrumID
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AYHKGxeTXUO
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Mass Spectrum (GC)
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1-Iodanyl-2,3,4-trimethyl-benzene
SpectraBase Compound ID 52ZvB49E5QH
InChI InChI=1S/C9H11I/c1-6-4-5-9(10)8(3)7(6)2/h4-5H,1-3H3
InChIKey NJOHZAYMOQWQTG-UHFFFAOYSA-N
Mol Weight 246.09 g/mol
Molecular Formula C9H11I
Exact Mass 245.990545 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AYHKGxeTXUO
Name 1-iodanyl-2,3,4-trimethyl-benzene
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H11I
InChI InChI=1S/C9H11I/c1-6-4-5-9(10)8(3)7(6)2/h4-5H,1-3H3
InChIKey NJOHZAYMOQWQTG-UHFFFAOYSA-N
Molecular Weight 246.091 g/mol
SMILES c1(c(c(C)ccc1I)C)C
SPLASH splash10-0002-2390000000-4a7c8047c1242a0385a8
Source of Spectrum F-50-5143-3
Synonyms 1-iodo-2,3,4-trimethyl-benzene
Wiley ID 1248407
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