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7-Oxabicyclo[4.1.0]heptane, 1-[2-[3-(phenylsulfonyl)propyl]-1,3-dioxolan-2-yl]-
SpectraBase Compound ID H1cAAK5C5UX
InChI InChI=1S/C18H24O5S/c19-24(20,15-7-2-1-3-8-15)14-6-11-18(21-12-13-22-18)17-10-5-4-9-16(17)23-17/h1-3,7-8,16H,4-6,9-14H2
InChIKey KTPXGRLAPLPXIC-UHFFFAOYSA-N
Mol Weight 352.45 g/mol
Molecular Formula C18H24O5S
Exact Mass 352.134445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LUBArm6Awis
Name 7-Oxabicyclo[4.1.0]heptane, 1-[2-[3-(phenylsulfonyl)propyl]-1,3-dioxolan-2-yl]-
Alternate Name(s) 1-(1,2-Epoxycyclohexyl)-4-(phenylsulfonyl)-1-butanone ethylene ketal 1-{2-[3-(phenylsulfonyl)propyl]-1,3-dioxolan-2-yl}-7-oxabicyclo[4.1.0]heptane 3-[2-(7-oxabicyclo[4.1.0]hept-1-yl)-1,3-dioxolan-2-yl]propyl phenyl sulfone
CAS Registry Number 127257-41-4
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24O5S
InChI InChI=1S/C18H24O5S/c19-24(20,15-7-2-1-3-8-15)14-6-11-18(21-12-13-22-18)17-10-5-4-9-16(17)23-17/h1-3,7-8,16H,4-6,9-14H2
InChIKey KTPXGRLAPLPXIC-UHFFFAOYSA-N
Molecular Weight 352.445 g/mol
SMILES C12(OC2CCCC1)C1(OCCO1)CCCS(=O)(=O)c1ccccc1
SPLASH splash10-0a4i-0090000000-fbceef3245d9df9f875a
Source of Spectrum J-55-3964-9
Wiley ID 1343128