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9-Isopropyl-4-methoxy-3-(morpholinosulfonyl)-7,12-dimethylbenzo[a]heptalene
SpectraBase Compound ID DLJ19VfOtr4
InChI InChI=1S/C26H31NO4S/c1-17(2)20-8-6-19(4)25-21-10-11-24(32(28,29)27-12-14-31-15-13-27)26(30-5)22(21)9-7-18(3)23(25)16-20/h6-11,16-17H,12-15H2,1-5H3
InChIKey XSIRAJRQZYDCSZ-UHFFFAOYSA-N
Mol Weight 453.6 g/mol
Molecular Formula C26H31NO4S
Exact Mass 453.19738 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GsAxpxJV8gf
Name 9-Isopropyl-4-methoxy-3-(morpholinosulfonyl)-7,12-dimethylbenzo[a]heptalene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H31NO4S
InChI InChI=1S/C26H31NO4S/c1-17(2)20-8-6-19(4)25-21-10-11-24(32(28,29)27-12-14-31-15-13-27)26(30-5)22(21)9-7-18(3)23(25)16-20/h6-11,16-17H,12-15H2,1-5H3
InChIKey XSIRAJRQZYDCSZ-UHFFFAOYSA-N
Molecular Weight 453.597 g/mol
SMILES c12c(C=CC(=C3C=C(C=CC(=C23)C)C(C)C)C)c(c(cc1)S(=O)(=O)N1CCOCC1)OC
SPLASH splash10-0zfr-4030900000-6d9858a6c1e955ba4fb1
Source of Spectrum C-88-1098-8
Synonyms 4-[(9-isopropyl-4-methoxy-7,12-dimethylbenzo[a]heptalen-3-yl)sulfonyl]morpholine 9-isopropyl-7,12-dimethyl-3-(4-morpholinylsulfonyl)benzo[a]heptalen-4-yl methyl ether
Wiley ID 1590228