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1,2,4-[1]Propen[1]yl[3]ylidenepentalen-5(1H)-one, 2,3,3a,4,6,6a-hexahydro-8-[(4-methylphenyl)sulfonyl]-
SpectraBase Compound ID 7a0mtWFPN7x
InChI InChI=1S/C18H18O3S/c1-9-2-4-10(5-3-9)22(20,21)16-8-12-11-7-15(19)17-13(11)6-14(12)18(16)17/h2-5,8,11-14,17-18H,6-7H2,1H3/t11-,12+,13+,14-,17+,18-/m0/s1
InChIKey NQFWONOLMQUULO-GLKISUSDSA-N
Mol Weight 314.4 g/mol
Molecular Formula C18H18O3S
Exact Mass 314.097666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8PdpvYNmOTa
Name 1,2,4-[1]Propen[1]yl[3]ylidenepentalen-5(1H)-one, 2,3,3a,4,6,6a-hexahydro-8-[(4-methylphenyl)sulfonyl]-
Alternate Name(s) 1,2,4-Ethanylylidene-1H-cyclobuta[cd]pentalen-5-one, octahydro-7-[(4-methylphenyl)sulfonyl]-, (1.alpha.,1a.beta.,2.alpha.,3a.beta.,4.alpha.,5a.beta.,5b.beta.,6S*, 7R*)- 11-(p-tolylsulfonyl)tetracyclo[6.3.0.0(2,6).0(5,9)]undec-10-en-3-one 11-[(4-methylphenyl)sulfonyl]tetracyclo[6.3.0.0(2,6).0(5,9)]undec-10-en-3-one exo-11-(p-tolylsulfonyl)tetracyclo[6.3.0.0(2,6).0(5,9)]undecan-3-one
CAS Registry Number 130797-44-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18O3S
InChI InChI=1S/C18H18O3S/c1-9-2-4-10(5-3-9)22(20,21)16-8-12-11-7-15(19)17-13(11)6-14(12)18(16)17/h2-5,8,11-14,17-18H,6-7H2,1H3/t11-,12+,13+,14-,17+,18-/m0/s1
InChIKey NQFWONOLMQUULO-GLKISUSDSA-N
Molecular Weight 314.399 g/mol
SMILES C=1(S(c2ccc(cc2)C)(=O)=O)[C@]2([C@@]3([C@@]4(C[C@]2([C@](C1)([C@@]4(CC3=O)[H])[H])[H])[H])[H])[H]
SPLASH splash10-08fr-0907000000-df868b547179964bdf09
Source of Spectrum J-56-281-7
Wiley ID 1315072