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9-Isopropyl-4-methoxy-3-(phenylsulfonyl)-7,12-dimethylbenzo[a]heptalene
SpectraBase Compound ID Lrif7Vz1CI6
InChI InChI=1S/C28H28O3S/c1-18(2)21-13-11-20(4)27-23-15-16-26(32(29,30)22-9-7-6-8-10-22)28(31-5)24(23)14-12-19(3)25(27)17-21/h6-18H,1-5H3
InChIKey JIYLLLJPNUGAMM-UHFFFAOYSA-N
Mol Weight 444.59 g/mol
Molecular Formula C28H28O3S
Exact Mass 444.175916 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Af7buvDJC5g
Name 9-Isopropyl-4-methoxy-3-(phenylsulfonyl)-7,12-dimethylbenzo[a]heptalene
Alternate Name(s) 9-isopropyl-4-methoxy-7,12-dimethyl-3-(phenylsulfonyl)benzo[a]heptalene 9-isopropyl-4-methoxy-7,12-dimethylbenzo[a]heptalen-3-yl phenyl sulfone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H28O3S
InChI InChI=1S/C28H28O3S/c1-18(2)21-13-11-20(4)27-23-15-16-26(32(29,30)22-9-7-6-8-10-22)28(31-5)24(23)14-12-19(3)25(27)17-21/h6-18H,1-5H3
InChIKey JIYLLLJPNUGAMM-UHFFFAOYSA-N
Molecular Weight 444.589 g/mol
SMILES c12c(C=CC(=C3C=C(C=CC(=C23)C)C(C)C)C)c(c(cc1)S(=O)(=O)c1ccccc1)OC
SPLASH splash10-0ufv-0040900000-345f7e9f590609bff3b1
Source of Spectrum C-88-1097-8
Wiley ID 1590231