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3-(benzenesulfonyl)-4-(1,1,2-trimethylpropoxy)butan-2-one
SpectraBase Compound ID A8UL4tDUUsJ
InChI InChI=1S/C16H24O4S/c1-12(2)16(4,5)20-11-15(13(3)17)21(18,19)14-9-7-6-8-10-14/h6-10,12,15H,11H2,1-5H3
InChIKey IWUFDTKTUXWREG-UHFFFAOYSA-N
Mol Weight 312.42 g/mol
Molecular Formula C16H24O4S
Exact Mass 312.13953 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F5AFlNXTgR0
Name 3-(benzenesulfonyl)-4-(1,1,2-trimethylpropoxy)butan-2-one
CAS Registry Number 133834-61-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H24O4S
InChI InChI=1S/C16H24O4S/c1-12(2)16(4,5)20-11-15(13(3)17)21(18,19)14-9-7-6-8-10-14/h6-10,12,15H,11H2,1-5H3
InChIKey IWUFDTKTUXWREG-UHFFFAOYSA-N
Molecular Weight 312.424 g/mol
SMILES C(S(=O)(=O)c1ccccc1)(COC(C(C)C)(C)C)C(=O)C
SPLASH splash10-01r6-6690000000-c95b5f3a69bba5f49385
Source of Spectrum J-56-4106-6
Synonyms 3-(benzenesulfonyl)-4-(2,3-dimethylbutan-2-yloxy)-2-butanone 3-(benzenesulfonyl)-4-(2,3-dimethylbutan-2-yloxy)butan-2-one 3-besyl-4-thexyloxy-butan-2-one 4-(2,3-dimethylbutan-2-yloxy)-3-(phenylsulfonyl)butan-2-one
Wiley ID 1313132