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1,3-Dihydrobenzo(c)thiophene-1-pentanal 2,2-dioxide
SpectraBase Compound ID HEI1IsN3him
InChI InChI=1S/C13H16O3S/c14-9-5-1-2-8-13-12-7-4-3-6-11(12)10-17(13,15)16/h3-4,6-7,9,13H,1-2,5,8,10H2
InChIKey BRASWKUOAGHQNP-UHFFFAOYSA-N
Mol Weight 252.33 g/mol
Molecular Formula C13H16O3S
Exact Mass 252.082016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3wrlUuAQxIU
Name 1,3-Dihydrobenzo(c)thiophene-1-pentanal 2,2-dioxide
Alternate Name(s) 5-(2,2-dioxido-1,3-dihydro-2-benzothien-1-yl)pentanal
CAS Registry Number 72938-80-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O3S
InChI InChI=1S/C13H16O3S/c14-9-5-1-2-8-13-12-7-4-3-6-11(12)10-17(13,15)16/h3-4,6-7,9,13H,1-2,5,8,10H2
InChIKey BRASWKUOAGHQNP-UHFFFAOYSA-N
Molecular Weight 252.328 g/mol
SMILES C1(S(Cc2ccccc12)(=O)=O)CCCCC=O
SPLASH splash10-001i-9000000000-c349dcf49066ce17497d
Source of Spectrum J-45-1467-0
Wiley ID 1255299