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(5R,6S)-6-Methyl-5-(p-tolylsulfonylacetyl)bicyclo[2.2.1]hept-2-ene
SpectraBase Compound ID J40qrPYjI0n
InChI InChI=1S/C17H20O3S/c1-11-3-7-15(8-4-11)21(19,20)10-16(18)17-12(2)13-5-6-14(17)9-13/h3-8,12-14,17H,9-10H2,1-2H3/t12-,13+,14-,17+/m0/s1
InChIKey QKQIWPIOWWNOTP-QDEZUTFSSA-N
Mol Weight 304.4 g/mol
Molecular Formula C17H20O3S
Exact Mass 304.113316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IPaFoCr22Qc
Name (5R,6S)-6-Methyl-5-(p-tolylsulfonylacetyl)bicyclo[2.2.1]hept-2-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20O3S
InChI InChI=1S/C17H20O3S/c1-11-3-7-15(8-4-11)21(19,20)10-16(18)17-12(2)13-5-6-14(17)9-13/h3-8,12-14,17H,9-10H2,1-2H3/t12-,13+,14-,17+/m0/s1
InChIKey QKQIWPIOWWNOTP-QDEZUTFSSA-N
Molecular Weight 304.404 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)C([C@]1([C@]2(C=C[C@@]([C@@]1(C)[H])(C2)[H])[H])[H])=O
SPLASH splash10-014u-9130000000-41cec8d1f9dd6767a9b0
Source of Spectrum F4-40-3387-4c
Wiley ID 1711631