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Heptane, 3-ethyl-5-methyl-
SpectraBase Compound ID SvrH2cTyXR
InChI InChI=1S/C10H22/c1-5-9(4)8-10(6-2)7-3/h9-10H,5-8H2,1-4H3
InChIKey VXARVYMIZCGZGG-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 CLv4C48zLBf
Name Heptane, 3-ethyl-5-methyl-
CAS Registry Number 52896-90-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H22
InChI InChI=1S/C10H22/c1-5-9(4)8-10(6-2)7-3/h9-10H,5-8H2,1-4H3
InChIKey VXARVYMIZCGZGG-UHFFFAOYSA-N
Molecular Weight 142.286 g/mol
SMILES CCC(CC(CC)C)CC
SPLASH splash10-0abc-9000000000-29da589e15f46d85f97f
Source of Spectrum HE-1982-0-0
Synonyms 3-Ethyl-5-methyl-heptane Heptane, 5-ethyl-3-methyl
Wiley ID 1141683