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Octane-1,4-D2
SpectraBase Compound ID Lug9kPYpeY3
InChI InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3/i1D,7D
InChIKey TVMXDCGIABBOFY-COMABECVSA-N
Mol Weight 116.24 g/mol
Molecular Formula C8H16D2
Exact Mass 116.153404 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J0zooHPxBX7
Name Octane-1,4-D2
CAS Registry Number 94605-05-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H16D2
InChI InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3/i1D,7D
InChIKey TVMXDCGIABBOFY-COMABECVSA-N
Molecular Weight 116.244 g/mol
SMILES C(CC(CCCC)[D])C[D]
SPLASH splash10-0006-9000000000-6b1a5913144834da366b
Source of Spectrum O-19-431-7
Synonyms 1,4-Dideuteriooctane
Wiley ID 1124971