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9-Isopropyl-2-methoxy-3-(phenylsulfonyl)-7,12-dimethylbenzo[a]heptalen-4-ol
SpectraBase Compound ID 80luN53jHdZ
InChI InChI=1S/C28H28O4S/c1-17(2)20-13-11-19(4)26-23(15-20)18(3)12-14-22-24(26)16-25(32-5)28(27(22)29)33(30,31)21-9-7-6-8-10-21/h6-17,29H,1-5H3
InChIKey MNSNOGLTGIGWGL-UHFFFAOYSA-N
Mol Weight 460.59 g/mol
Molecular Formula C28H28O4S
Exact Mass 460.170831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LVijrIdIJKR
Name 9-Isopropyl-2-methoxy-3-(phenylsulfonyl)-7,12-dimethylbenzo[a]heptalen-4-ol
Alternate Name(s) 9-isopropyl-2-methoxy-7,12-dimethyl-3-(phenylsulfonyl)benzo[a]heptalen-4-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H28O4S
InChI InChI=1S/C28H28O4S/c1-17(2)20-13-11-19(4)26-23(15-20)18(3)12-14-22-24(26)16-25(32-5)28(27(22)29)33(30,31)21-9-7-6-8-10-21/h6-17,29H,1-5H3
InChIKey MNSNOGLTGIGWGL-UHFFFAOYSA-N
Molecular Weight 460.588 g/mol
SMILES Oc1c2c(C=3C(=C(C=C2)C)C=C(C=CC3C)C(C)C)cc(c1S(=O)(=O)c1ccccc1)OC
SPLASH splash10-03mi-5000900000-c9586fc5c04135cf3996
Source of Spectrum C-88-1099-9
Wiley ID 1590227