Debug Info

object
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_id
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FWbRpgfyMtx
spectrumID
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FWbRpgfyMtx
cost
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1
specType
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131072
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WMSL3X:194592:1
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Benzene, (6-chloro-3,3,4,4,5,5,6,6-octafluoro-1-iodo-1-hexenyl)-, (Z)-
SpectraBase Compound ID 4OUBbOE3xWw
InChI InChI=1S/C12H6ClF8I/c13-12(20,21)11(18,19)10(16,17)9(14,15)6-8(22)7-4-2-1-3-5-7/h1-6H/b8-6-
InChIKey JFSYSUDELLZYCW-VURMDHGXSA-N
Mol Weight 464.52 g/mol
Molecular Formula C12H6ClF8I
Exact Mass 463.907498 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FWbRpgfyMtx
Name Benzene, (6-chloro-3,3,4,4,5,5,6,6-octafluoro-1-iodo-1-hexenyl)-, (Z)-
CAS Registry Number 107832-03-1
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H6ClF8I
InChI InChI=1S/C12H6ClF8I/c13-12(20,21)11(18,19)10(16,17)9(14,15)6-8(22)7-4-2-1-3-5-7/h1-6H/b8-6-
InChIKey JFSYSUDELLZYCW-VURMDHGXSA-N
Molecular Weight 464.525 g/mol
SMILES C(C(C(F)(F)Cl)(F)F)(C(\C=C\(c1ccccc1)I)(F)F)(F)F
SPLASH splash10-000i-0009000000-4295a8d3afe50e02b50f
Source of Spectrum F-46-363-3
Synonyms trans-6-chloro-3,3,4,4,5,5,6,6-octafluoro-1-iodo-1-hexenyl)benzene [(1Z)-6-chloro-3,3,4,4,5,5,6,6-octafluoro-1-iodo-1-hexenyl]benzene
Wiley ID 1391360
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