For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Methyl 9-isopropyl-1,6-dimethyl-4-[(phenylsulfonyl)acetyl]heptalene-5-carboxylate
SpectraBase Compound ID 6cbA2YJqbBD
InChI InChI=1S/C27H28O5S/c1-17(2)20-13-11-19(4)25-23(15-20)18(3)12-14-22(26(25)27(29)32-5)24(28)16-33(30,31)21-9-7-6-8-10-21/h6-15,17H,16H2,1-5H3
InChIKey NTAPRRYYMIXDLF-UHFFFAOYSA-N
Mol Weight 464.58 g/mol
Molecular Formula C27H28O5S
Exact Mass 464.165745 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 57RhIVHSdZZ
Name Methyl 9-isopropyl-1,6-dimethyl-4-[(phenylsulfonyl)acetyl]heptalene-5-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H28O5S
InChI InChI=1S/C27H28O5S/c1-17(2)20-13-11-19(4)25-23(15-20)18(3)12-14-22(26(25)27(29)32-5)24(28)16-33(30,31)21-9-7-6-8-10-21/h6-15,17H,16H2,1-5H3
InChIKey NTAPRRYYMIXDLF-UHFFFAOYSA-N
Molecular Weight 464.576 g/mol
SMILES C=1(C=CC(=C(C2=C(C=CC(=CC12)C(C)C)C)C(=O)OC)C(=O)CS(=O)(=O)c1ccccc1)C
SPLASH splash10-00dj-0629400000-4912208e0fb821adc711
Source of Spectrum H-86-4038-15
Synonyms Methyl 7-isopropyl-5,10-dimethyl-2-[(phenylsulfonyl)acetyl]-1-heptalenecarboxylate
Wiley ID 1525727