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(E,Z)-2-(2,2-diethyl-4,7-dimethyl-2,3-dihydro-1H-inden-1-ylidene)-1-(.lambda.1-oxidanyl)-1,2-dihydro-3H-1.lambda.3-benzo[b]thiophen-3-one
SpectraBase Compound ID 3ANeJsekTjG
InChI InChI=1S/C23H24O2S/c1-5-23(6-2)13-17-14(3)11-12-15(4)19(17)20(23)22-21(24)16-9-7-8-10-18(16)26(22)25/h7-12H,5-6,13H2,1-4H3
InChIKey BVGHOCRQYXGJFV-UHFFFAOYSA-N
Mol Weight 364.5 g/mol
Molecular Formula C23H24O2S
Exact Mass 364.149701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dof7BKWFqut
Name (E,Z)-2-(2,2-diethyl-4,7-dimethyl-2,3-dihydro-1H-inden-1-ylidene)-1-(.lambda.1-oxidanyl)-1,2-dihydro-3H-1.lambda.3-benzo[b]thiophen-3-one
Appearance Yellow solid
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Exact Mass 364.149701185 u
Formula C23H24O2S
InChI InChI=1S/C23H24O2S/c1-5-23(6-2)13-17-14(3)11-12-15(4)19(17)20(23)22-21(24)16-9-7-8-10-18(16)26(22)25/h7-12H,5-6,13H2,1-4H3
InChIKey BVGHOCRQYXGJFV-UHFFFAOYSA-N
Instrument Name Finnigan MAT95Q or Finnigan MAT90
Ionization Type EI
Literature Reference DOI 10.1002/chem.202100950
Molecular Weight 364.503 g/mol
Reported Formula C23H24O2S
SMILES C1=CC2=C(C=C1)[S@@+](C(C2=O)=C1C2=C(CC1(CC)CC)C(=CC=C2C)C)[O-]
SPLASH splash10-0002-0009000000-10361ecf282b11ae18d3
Sample Comments Mixture of E/Z (2:1)
Source of Spectrum QE-27-SM9-3 (DOI: 10.1002/chem.202100950)
Wiley ID 1904070