For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
6-Iodo-2,2-dimethyl-7-(p-toluenesulfonyl)heptan-3-ol
SpectraBase Compound ID 1Z3qG2uyiSg
InChI InChI=1S/C16H25IO3S/c1-12-5-8-14(9-6-12)21(19,20)11-13(17)7-10-15(18)16(2,3)4/h5-6,8-9,13,15,18H,7,10-11H2,1-4H3
InChIKey QPSISSVWMAXMQZ-UHFFFAOYSA-N
Mol Weight 424.34 g/mol
Molecular Formula C16H25IO3S
Exact Mass 424.056911 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 5NjU52hLUeh
Name 6-Iodo-2,2-dimethyl-7-(p-toluenesulfonyl)heptan-3-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H25IO3S
InChI InChI=1S/C16H25IO3S/c1-12-5-8-14(9-6-12)21(19,20)11-13(17)7-10-15(18)16(2,3)4/h5-6,8-9,13,15,18H,7,10-11H2,1-4H3
InChIKey QPSISSVWMAXMQZ-UHFFFAOYSA-N
Molecular Weight 424.337 g/mol
SMILES OC(C(C)(C)C)CCC(CS(c1ccc(cc1)C)(=O)=O)I
SPLASH splash10-052f-5920000000-66c2b1899808538e26e3
Source of Spectrum F-53-6176-20
Synonyms 6-iodo-2,2-dimethyl-7-[(4-methylphenyl)sulfonyl]-3-heptanol
Wiley ID 801934