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14-[(p-tolylsulfonyloxy)methyl]tetracyclo[7.6.0.0(2,12).0(3,8)]pentadeca-3,5,7-trien-11-on
SpectraBase Compound ID 8Pk6WpoLfVC
InChI InChI=1S/C23H24O4S/c1-14-6-8-16(9-7-14)28(25,26)27-13-15-10-20-19-12-22(24)21(11-15)23(20)18-5-3-2-4-17(18)19/h2-9,15,19-21,23H,10-13H2,1H3/t15?,19-,20?,21+,23+/m1/s1
InChIKey BVTVDRSZXUUQRV-HPUHGYOFSA-N
Mol Weight 396.5 g/mol
Molecular Formula C23H24O4S
Exact Mass 396.13953 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Ldj1YpHlXs
Name 14-[(p-tolylsulfonyloxy)methyl]tetracyclo[7.6.0.0(2,12).0(3,8)]pentadeca-3,5,7-trien-11-on
Alternate Name(s) (11-oxotetracyclo[7.6.0.0(2,12).0(3,8)]pentadeca-3,5,7-trien-14-yl)methyl 4-methylbenzenesulfonate
CAS Registry Number 101565-16-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H24O4S
InChI InChI=1S/C23H24O4S/c1-14-6-8-16(9-7-14)28(25,26)27-13-15-10-20-19-12-22(24)21(11-15)23(20)18-5-3-2-4-17(18)19/h2-9,15,19-21,23H,10-13H2,1H3/t15?,19-,20?,21+,23+/m1/s1
InChIKey BVTVDRSZXUUQRV-HPUHGYOFSA-N
Molecular Weight 396.501 g/mol
SMILES c1(S(OCC2CC3[C@]4(c5ccccc5[C@@]3([C@@](C2)(C(C4)=O)[H])[H])[H])(=O)=O)ccc(cc1)C
SPLASH splash10-052f-9530000000-abf0cb64dde931c5a8a2
Source of Spectrum K-119-1974-16
Wiley ID 1367505