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1,3-Dihydrobenzo(c)thiophene-1-pentanol 2,2dioxide
SpectraBase Compound ID 7DBsRgV1LLD
InChI InChI=1S/C13H18O3S/c14-9-5-1-2-8-13-12-7-4-3-6-11(12)10-17(13,15)16/h3-4,6-7,13-14H,1-2,5,8-10H2
InChIKey QMOJJAVZRYNXDY-UHFFFAOYSA-N
Mol Weight 254.34 g/mol
Molecular Formula C13H18O3S
Exact Mass 254.097666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3vMfvdLcHC1
Name 1,3-Dihydrobenzo(c)thiophene-1-pentanol 2,2dioxide
CAS Registry Number 72938-79-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3S
InChI InChI=1S/C13H18O3S/c14-9-5-1-2-8-13-12-7-4-3-6-11(12)10-17(13,15)16/h3-4,6-7,13-14H,1-2,5,8-10H2
InChIKey QMOJJAVZRYNXDY-UHFFFAOYSA-N
Molecular Weight 254.344 g/mol
SMILES OCCCCCC1S(Cc2ccccc12)(=O)=O
SPLASH splash10-0059-0900000000-92da4111cc488f124137
Source of Spectrum J-45-1467-0
Synonyms 5-(2,2-dioxido-1,3-dihydro-2-benzothien-1-yl)-1-pentanol
Wiley ID 1257474