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Heptane,3-ethyl-2-methyl
SpectraBase Compound ID BI9e81zyWe8
InChI InChI=1S/C10H22/c1-5-7-8-10(6-2)9(3)4/h9-10H,5-8H2,1-4H3
InChIKey NKMJCVVUYDKHAV-UHFFFAOYSA-N
Mol Weight 142.29 g/mol
Molecular Formula C10H22
Exact Mass 142.172151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CHDFK2TcD4U
Name Heptane, 3-ethyl-2-methyl-
CAS Registry Number 14676-29-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H22
InChI InChI=1S/C10H22/c1-5-7-8-10(6-2)9(3)4/h9-10H,5-8H2,1-4H3
InChIKey NKMJCVVUYDKHAV-UHFFFAOYSA-N
Molecular Weight 142.286 g/mol
SMILES CC(C(CCCC)CC)C
SPLASH splash10-052f-9000000000-5471b6752fb8f55d0dd4
Source of Spectrum JX-2015-6-3249
Synonyms 2-Methyl-3-ethylheptane 3-Ethyl-2-methyl-heptane 3-Ethyl-2-methylheptane
Wiley ID 1728511