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4-Isopropyl-5-methoxy-1-(5-phenylsulfonylhex-5-enyl)-1,2-dihydrobenzocyclobutene-1-carbonitrile
SpectraBase Compound ID Jogx17zrtdJ
InChI InChI=1S/C25H29NO3S/c1-18(2)22-14-20-16-25(17-26,23(20)15-24(22)29-4)13-9-8-10-19(3)30(27,28)21-11-6-5-7-12-21/h5-7,11-12,14-15,18H,3,8-10,13,16H2,1-2,4H3
InChIKey MJNDZZBIWFRXCU-UHFFFAOYSA-N
Mol Weight 423.57 g/mol
Molecular Formula C25H29NO3S
Exact Mass 423.186815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Uf3WkHkLhj
Name 4-Isopropyl-5-methoxy-1-(5-phenylsulfonylhex-5-enyl)-1,2-dihydrobenzocyclobutene-1-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H29NO3S
InChI InChI=1S/C25H29NO3S/c1-18(2)22-14-20-16-25(17-26,23(20)15-24(22)29-4)13-9-8-10-19(3)30(27,28)21-11-6-5-7-12-21/h5-7,11-12,14-15,18H,3,8-10,13,16H2,1-2,4H3
InChIKey MJNDZZBIWFRXCU-UHFFFAOYSA-N
Molecular Weight 423.571 g/mol
SMILES C(S(=O)(=O)c1ccccc1)(=C)CCCCC1(c2cc(OC)c(cc2C1)C(C)C)C#N
SPLASH splash10-0ki6-4290800000-0a59189ff8fd3e4dc36a
Source of Spectrum KC-0-3535-14
Synonyms 3-isopropyl-4-methoxy-7-[5-(phenylsulfonyl)-5-hexenyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile 4-Isopropyl-5-methoxy-1-(5-phenylsulfonylhex-5-enyl)-1,2-dihydbenzocyclobutene-1-carbonitrile 7-[5-(benzenesulfonyl)hex-5-enyl]-4-methoxy-3-propan-2-yl-7-bicyclo[4.2.0]octa-1,3,5-trienecarbonitrile 7-[5-(benzenesulfonyl)hex-5-enyl]-4-methoxy-3-propan-2-ylbicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile 7-[5-(benzenesulfonyl)hex-5-enyl]-3-isopropyl-4-methoxy-bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile 4-Methoxy-7-[5-(phenylsulfonyl)hex-5-enyl]-3-propan-2-yl-bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile
Wiley ID 823886