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Benzene, (3-methylbutyl-4-13C)-, (S)-
SpectraBase Compound ID KWdxD6rhaLl
InChI InChI=1S/C11H16/c1-10(2)8-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3/i1+1/t10-/m0/s1
InChIKey XNXIYYFOYIUJIW-SLAPHHSLSA-N
Mol Weight 149.24 g/mol
Molecular Formula C1013CH16
Exact Mass 149.128555 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7eVj5AImmHx
Name Benzene, (3-methylbutyl-4-13C)-, (S)-
Alternate Name(s) (2S)-[1-c(13)]-2-methyl-4-phenylbutane
CAS Registry Number 112055-44-4
Comments Original formula: C10[13C]H16
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16
InChI InChI=1S/C11H16/c1-10(2)8-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3/i1+1/t10-/m0/s1
InChIKey XNXIYYFOYIUJIW-SLAPHHSLSA-N
Molecular Weight 149.241 g/mol
SMILES [13CH3][C@](CCc1ccccc1)(C)[H]
SPLASH splash10-0006-9200000000-5fa226865e1a28bfd74e
Source of Spectrum KC-1987-2434-0
Wiley ID 1146031