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Spiro[4.4]nonan-2-one, 6-[2-(acetyloxy)ethyl]-3-[(4-methylphenyl)thio]-, cis-
SpectraBase Compound ID HQcVpjn2dR
InChI InChI=1S/C20H26O3S/c1-14-5-7-17(8-6-14)24-19-13-20(12-18(19)22)10-3-4-16(20)9-11-23-15(2)21/h5-8,16,19H,3-4,9-13H2,1-2H3/t16?,19-,20+/m1/s1
InChIKey YLLJHMWMPZVEAY-OHAXFNJZSA-N
Mol Weight 346.49 g/mol
Molecular Formula C20H26O3S
Exact Mass 346.160266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Zy6uO15C9r
Name Spiro[4.4]nonan-2-one, 6-[2-(acetyloxy)ethyl]-3-[(4-methylphenyl)thio]-, cis-
Alternate Name(s) (3(5)S*,6R*)-6-(2'-acetoxyethyl)-3-(p-tolylthio)spiro[4.4]nonan-2-one 2-{(5S,7R)-7-[(4-methylphenyl)sulfanyl]-8-oxospiro[4.4]non-1-yl}ethyl acetate
CAS Registry Number 64715-53-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26O3S
InChI InChI=1S/C20H26O3S/c1-14-5-7-17(8-6-14)24-19-13-20(12-18(19)22)10-3-4-16(20)9-11-23-15(2)21/h5-8,16,19H,3-4,9-13H2,1-2H3/t16?,19-,20+/m1/s1
InChIKey YLLJHMWMPZVEAY-OHAXFNJZSA-N
Molecular Weight 346.485 g/mol
SMILES [C@@]12(CC(=O)[C@@](C2)(Sc2ccc(cc2)C)[H])C(CCOC(=O)C)CCC1
SPLASH splash10-0006-9501000000-d0c30105a86641c69b04
Source of Spectrum J-43-1037-0
Wiley ID 1339337