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1,2,3,3,8,8-Hexadeutero-1,5-Cyclooctadiene
SpectraBase Compound ID 6Aw8y21rKhF
InChI InChI=1S/C8H12/c1-2-4-6-8-7-5-3-1/h1-2,7-8H,3-6H2/b2-1-,8-7-/i1D,2D,3D2,4D2
InChIKey VYXHVRARDIDEHS-XNPYTPOGSA-N
Mol Weight 114.22 g/mol
Molecular Formula C8H6D6
Exact Mass 114.131561 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JuLrupGRjWe
Name 1,2,3,3,8,8-Hexadeutero-1,5-Cyclooctadiene
CAS Registry Number 61249-72-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6D6
InChI InChI=1S/C8H12/c1-2-4-6-8-7-5-3-1/h1-2,7-8H,3-6H2/b2-1-,8-7-/i1D,2D,3D2,4D2
InChIKey VYXHVRARDIDEHS-XNPYTPOGSA-N
Molecular Weight 114.221 g/mol
SMILES C1\C=C/CC(\C(=C/(C1([D])[D])[D])[D])([D])[D]
SPLASH splash10-0h9r-9000000000-bc22cbd4731c55295fa6
Source of Spectrum HE-1982-0-0
Wiley ID 1122055