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[1,1-2H2]Neopentyl alcohol

View entire compound with spectra: 2 MS (GC)

[1,1-2H2]Neopentyl alcohol
SpectraBase Compound ID 33XbX8vfoy4
InChI InChI=1S/C5H12O/c1-5(2,3)4-6/h6H,4H2,1-3H3/i4D2
InChIKey KPSSIOMAKSHJJG-APZFVMQVSA-N
Mol Weight 90.16 g/mol
Molecular Formula C5H10D2O
Exact Mass 90.101368 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2FK5NyGZsVl
Name [1,1-2H2]Neopentyl alcohol
CAS Registry Number 7210-87-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H10D2O
InChI InChI=1S/C5H12O/c1-5(2,3)4-6/h6H,4H2,1-3H3/i4D2
InChIKey KPSSIOMAKSHJJG-APZFVMQVSA-N
Molecular Weight 90.162 g/mol
SMILES OC(C(C)(C)C)([D])[D]
SPLASH splash10-0a6r-9000000000-2c2dd7e0c57085480eaf
Source of Spectrum O-6-899-1
Synonyms 1,1-D2-neopentyl alcohol 1,1-Dideuterio-2,2-dimethyl-1-propanol 1,1-Dideuterio-2,2-dimethylpropan-1-ol
Wiley ID 1016