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2,2-Dimethylheptane
SpectraBase Compound ID EF8C64fNLNt
InChI InChI=1S/C9H20/c1-5-6-7-8-9(2,3)4/h5-8H2,1-4H3
InChIKey PSABUFWDVWCFDP-UHFFFAOYSA-N
Mol Weight 128.26 g/mol
Molecular Formula C9H20
Exact Mass 128.156501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8c5V09PU6VM
Name Heptane, 2,2-dimethyl-
CAS Registry Number 1071-26-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H20
InChI InChI=1S/C9H20/c1-5-6-7-8-9(2,3)4/h5-8H2,1-4H3
InChIKey PSABUFWDVWCFDP-UHFFFAOYSA-N
Molecular Weight 128.259 g/mol
SMILES CC(CCCCC)(C)C
SPLASH splash10-0a4i-9000000000-8b13bca332020d9f1418
Source of Spectrum AA-0-570-3
Synonyms 2,2-Dimethylheptane EINECS 213-989-0 NSC 74181
Wiley ID 5428