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(E,1S,6R,8R,10R,Rs)-13,13-Dimethyl-4-(formylmethylidene)-6-(4-nitrophenyl)-7-oxa-3-thiatricyclo[8.2.1.0(1,8)]tridecane 3-oxide

View entire compound with spectra: 1 MS (GC)

(E,1S,6R,8R,10R,Rs)-13,13-Dimethyl-4-(formylmethylidene)-6-(4-nitrophenyl)-7-oxa-3-thiatricyclo[8.2.1.0(1,8)]tridecane 3-oxide
SpectraBase Compound ID 26nwlh0pcmL
InChI InChI=1S/C21H25NO5S/c1-20(2)15-7-9-21(20)13-28(26)17(8-10-23)12-18(27-19(21)11-15)14-3-5-16(6-4-14)22(24)25/h3-6,8,10,15,18-19H,7,9,11-13H2,1-2H3/b17-8+/t15-,18-,19-,21-,28?/m1/s1
InChIKey BZSHUUOEDQEQSA-AHQUEHKSSA-N
Mol Weight 403.49 g/mol
Molecular Formula C21H25NO5S
Exact Mass 403.145344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IvAQZ7IP13a
Name (E,1S,6R,8R,10R,Rs)-13,13-Dimethyl-4-(formylmethylidene)-6-(4-nitrophenyl)-7-oxa-3-thiatricyclo[8.2.1.0(1,8)]tridecane 3-oxide
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25NO5S
InChI InChI=1S/C21H25NO5S/c1-20(2)15-7-9-21(20)13-28(26)17(8-10-23)12-18(27-19(21)11-15)14-3-5-16(6-4-14)22(24)25/h3-6,8,10,15,18-19H,7,9,11-13H2,1-2H3/b17-8+/t15-,18-,19-,21-,28?/m1/s1
InChIKey BZSHUUOEDQEQSA-AHQUEHKSSA-N
Molecular Weight 403.493 g/mol
SMILES [C@]123[C@](O[C@@](c4ccc(N(=O)=O)cc4)(C\C([S@@+](C1)[O-])=C/C=O)[H])(C[C@@](C2(C)C)([H])CC3)[H]
SPLASH splash10-0002-0900000000-10fd92241c38282d9c88
Source of Spectrum KC-0-275-5
Synonyms (2E)-[(1S,6R,8R,10R)-13,13-dimethyl-6-(4-nitrophenyl)-3-oxido-7-oxa-3-thiatricyclo[8.2.1.0(1,8)]tridec-4-ylidene]ethanal
Wiley ID 822254