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2-Heptanol, 1-(phenylsulfonyl)-

View entire compound with spectra: 1 MS (GC)

2-Heptanol, 1-(phenylsulfonyl)-
SpectraBase Compound ID ItmPsPoiwRO
InChI InChI=1S/C13H20O3S/c1-2-3-5-8-12(14)11-17(15,16)13-9-6-4-7-10-13/h4,6-7,9-10,12,14H,2-3,5,8,11H2,1H3
InChIKey NVNORMOEJVRONY-UHFFFAOYSA-N
Mol Weight 256.36 g/mol
Molecular Formula C13H20O3S
Exact Mass 256.113316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6LxdqGZkuTx
Name 2-Heptanol, 1-(phenylsulfonyl)-
CAS Registry Number 69164-56-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O3S
InChI InChI=1S/C13H20O3S/c1-2-3-5-8-12(14)11-17(15,16)13-9-6-4-7-10-13/h4,6-7,9-10,12,14H,2-3,5,8,11H2,1H3
InChIKey NVNORMOEJVRONY-UHFFFAOYSA-N
Molecular Weight 256.360 g/mol
SMILES OC(CS(=O)(=O)c1ccccc1)CCCCC
SPLASH splash10-002u-5900000000-459af390008ed5914c6a
Source of Spectrum B-31-1977-0
Synonyms 1-(Phenylsulfonyl)-2-heptanol 1-(Phenylsulfonyl)heptan-2-ol
Wiley ID 1259553