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sec-Bromobutane-1,1,1,2,3,3-D6
SpectraBase Compound ID BxNAtbpbgvK
InChI InChI=1S/C4H9Br/c1-3-4(2)5/h4H,3H2,1-2H3/i2D3,3D2,4D
InChIKey UPSXAPQYNGXVBF-ARDOQIENSA-N
Mol Weight 143.06 g/mol
Molecular Formula C4H3D6Br
Exact Mass 142.026424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1B30uwi1FeU
Name sec-Bromobutane-1,1,1,2,3,3-D6
CAS Registry Number 53966-37-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C4H3D6Br
InChI InChI=1S/C4H9Br/c1-3-4(2)5/h4H,3H2,1-2H3/i2D3,3D2,4D
InChIKey UPSXAPQYNGXVBF-ARDOQIENSA-N
Molecular Weight 143.057 g/mol
SMILES C(C(C(C)([D])[D])(Br)[D])([D])([D])[D]
SPLASH splash10-03e9-9000000000-7e3beecf2ecd24dffcc6
Source of Spectrum EP-7345-0-0
Synonyms 1,1,1,2,3,3-Hexadeutero-2-bromobutane
Wiley ID 1135697