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Benzene, (4-methylpentyl-3,3,4-D3)-
SpectraBase Compound ID FOQTSbFtkii
InChI InChI=1S/C12H18/c1-11(2)7-6-10-12-8-4-3-5-9-12/h3-5,8-9,11H,6-7,10H2,1-2H3/i7D2,11D
InChIKey SUMOGCZUNXXYRP-XGWWUZNLSA-N
Mol Weight 165.29 g/mol
Molecular Formula C12H15D3
Exact Mass 165.159681 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B7O4Ozc5jsU
Name Benzene, (4-methylpentyl-3,3,4-D3)-
CAS Registry Number 128780-84-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15D3
InChI InChI=1S/C12H18/c1-11(2)7-6-10-12-8-4-3-5-9-12/h3-5,8-9,11H,6-7,10H2,1-2H3/i7D2,11D
InChIKey SUMOGCZUNXXYRP-XGWWUZNLSA-N
Molecular Weight 165.294 g/mol
SMILES c1(CCC(C(C)(C)[D])([D])[D])ccccc1
SPLASH splash10-00kf-9200000000-7896bedb6ae83cf24d04
Source of Spectrum J-55-5161-9
Synonyms (4-Methyl-3,3,4-trideuteriopentyl)benzene
Wiley ID 1159252