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11-oxohexacyclo[6.6.0.0(3,7).0(4,14).0(5,12).0(6,10)]tetradecanyl p-toluenesulfonate
SpectraBase Compound ID 7HjOwbVfz2m
InChI InChI=1S/C21H22O4S/c1-8-2-4-9(5-3-8)26(23,24)25-21-13-7-12-16-14-10-6-11(18(14)20(12)22)19(21)15(10)17(13)16/h2-5,10-19,21H,6-7H2,1H3
InChIKey MOPTTZMBMIPABD-UHFFFAOYSA-N
Mol Weight 370.46 g/mol
Molecular Formula C21H22O4S
Exact Mass 370.12388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Sg0xVtFlqO
Name 11-oxohexacyclo[6.6.0.0(3,7).0(4,14).0(5,12).0(6,10)]tetradecanyl p-toluenesulfonate
CAS Registry Number 112533-32-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O4S
InChI InChI=1S/C21H22O4S/c1-8-2-4-9(5-3-8)26(23,24)25-21-13-7-12-16-14-10-6-11(18(14)20(12)22)19(21)15(10)17(13)16/h2-5,10-19,21H,6-7H2,1H3
InChIKey MOPTTZMBMIPABD-UHFFFAOYSA-N
Molecular Weight 370.463 g/mol
SMILES C1(OS(c2ccc(cc2)C)(=O)=O)C2C3C4C5C6C3C1CC6C(C5C2C4)=O
SPLASH splash10-0002-0900000000-1ebfa8c1d6bf55149e61
Source of Spectrum J-53-1103-7
Wiley ID 1354297