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(1S,4R,7S)-7-((S)-tert-butylsulfinyl)-2-(4-methoxyphenyl)-bicyclo[2.2.1]hept-2-ene

View entire compound with spectra: 1 MS (GC)

(1S,4R,7S)-7-((S)-tert-butylsulfinyl)-2-(4-methoxyphenyl)-bicyclo[2.2.1]hept-2-ene
SpectraBase Compound ID 2zCFIzC6xm0
InChI InChI=1S/C18H24O2S/c1-18(2,3)21(19)17-13-7-10-15(17)16(11-13)12-5-8-14(20-4)9-6-12/h5-6,8-9,11,13,15,17H,7,10H2,1-4H3/t13-,15+,17+,21?/m1/s1
InChIKey UFNGPIOUXUXZQB-CYXXXYAASA-N
Mol Weight 304.45 g/mol
Molecular Formula C18H24O2S
Exact Mass 304.149701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K5NmvirT0EN
Name (1S,4R,7S)-7-((S)-tert-butylsulfinyl)-2-(4-methoxyphenyl)-bicyclo[2.2.1]hept-2-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24O2S
InChI InChI=1S/C18H24O2S/c1-18(2,3)21(19)17-13-7-10-15(17)16(11-13)12-5-8-14(20-4)9-6-12/h5-6,8-9,11,13,15,17H,7,10H2,1-4H3/t13-,15+,17+,21?/m1/s1
InChIKey UFNGPIOUXUXZQB-CYXXXYAASA-N
Literature Reference DOI 10.1021/ol200841x
Molecular Weight 304.448 g/mol
SMILES [C@]1([C@@]2(CC[C@]1(C(c1ccc(cc1)OC)=C2)[H])[H])([S@@](C(C)(C)C)=O)[H]
SPLASH splash10-006t-0920000000-63061444a81fe4f738bf
Source of Spectrum A1-13-3182/SMS17-15c
Synonyms (1S,4R,7S)-7-((S)-tert-butylsulfinyl)-2-(4-methoxyphenyl)bicyclo[2.2.1]hept-2-ene
Wiley ID 1753181