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

*Links on SpectraBase are not permalinks.
5,6,8,9-tetrahydro-anti-10-[3-(p-tolylsulfonyloxy)-2-[(p-tolylsulfonyloxy)methyl]propyl]-5,9-methano-7h-benzocyclohepten-7-on
SpectraBase Compound ID CzuYjmNlqb5
InChI InChI=1S/C30H32O7S2/c1-20-7-11-24(12-8-20)38(32,33)36-18-22(19-37-39(34,35)25-13-9-21(2)10-14-25)15-28-29-16-23(31)17-30(28)27-6-4-3-5-26(27)29/h3-14,22,28-30H,15-19H2,1-2H3
InChIKey XDFIXARXVXYZRY-UHFFFAOYSA-N
Mol Weight 568.7 g/mol
Molecular Formula C30H32O7S2
Exact Mass 568.158946 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 Kikt7WAU6Xb
Name 5,6,8,9-tetrahydro-anti-10-[3-(p-tolylsulfonyloxy)-2-[(p-tolylsulfonyloxy)methyl]propyl]-5,9-methano-7h-benzocyclohepten-7-on
CAS Registry Number 101565-15-5
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H32O7S2
InChI InChI=1S/C30H32O7S2/c1-20-7-11-24(12-8-20)38(32,33)36-18-22(19-37-39(34,35)25-13-9-21(2)10-14-25)15-28-29-16-23(31)17-30(28)27-6-4-3-5-26(27)29/h3-14,22,28-30H,15-19H2,1-2H3
InChIKey XDFIXARXVXYZRY-UHFFFAOYSA-N
Molecular Weight 568.699 g/mol
SMILES c1(S(OCC(CC2C3c4ccccc4C2CC(=O)C3)COS(c2ccc(cc2)C)(=O)=O)(=O)=O)ccc(cc1)C
SPLASH splash10-002f-4910000000-86d1a5339267d9c98641
Source of Spectrum K-119-1974-14
Synonyms 3-{[(4-methylphenyl)sulfonyl]oxy}-2-[(10-oxotricyclo[6.3.1.0(2,7)]dodeca-2,4,6-trien-12-yl)methyl]propyl 4-methylbenzenesulfonate
Wiley ID 1407504