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9'-(imidazole-1-carbothioyloxy)-3'-methyl-spiro[1,3-dioxolane-2,7'-bicyclo[3.3.1]non-2-ene]-5'-carboxylic acid methyl ester

View entire compound with spectra: 1 MS (GC)

9'-(imidazole-1-carbothioyloxy)-3'-methyl-spiro[1,3-dioxolane-2,7'-bicyclo[3.3.1]non-2-ene]-5'-carboxylic acid methyl ester
SpectraBase Compound ID DGqlYedoIzJ
InChI InChI=1S/C18H22N2O5S/c1-12-7-13-9-18(23-5-6-24-18)10-17(8-12,15(21)22-2)14(13)25-16(26)20-4-3-19-11-20/h3-4,7,11,13-14H,5-6,8-10H2,1-2H3/t13-,14-,17-/m1/s1
InChIKey XUBPGLZWYDKYLH-CKEIUWERSA-N
Mol Weight 378.44 g/mol
Molecular Formula C18H22N2O5S
Exact Mass 378.124943 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 68W1IhgLa8S
Name 9'-(imidazole-1-carbothioyloxy)-3'-methyl-spiro[1,3-dioxolane-2,7'-bicyclo[3.3.1]non-2-ene]-5'-carboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22N2O5S
InChI InChI=1S/C18H22N2O5S/c1-12-7-13-9-18(23-5-6-24-18)10-17(8-12,15(21)22-2)14(13)25-16(26)20-4-3-19-11-20/h3-4,7,11,13-14H,5-6,8-10H2,1-2H3/t13-,14-,17-/m1/s1
InChIKey XUBPGLZWYDKYLH-CKEIUWERSA-N
Molecular Weight 378.443 g/mol
SMILES [C@@]12([C@](OC([n]3cncc3)=S)([C@](C=C(C1)C)(CC1(C2)OCCO1)[H])[H])C(=O)OC
SPLASH splash10-0a4u-7911000000-03c3330622ca977167c7
Source of Spectrum F-55-8490-13
Synonyms 9'-[1-imidazolyl(sulfanylidene)methoxy]-3'-methyl-5'-spiro[1,3-dioxolane-2,7'-bicyclo[3.3.1]non-2-ene]carboxylic acid methyl ester Methyl 9'-(imidazole-1-carbothioyloxy)-3'-methyl-spiro[1,3-dioxolane-2,7'-bicyclo[3.3.1]non-2-ene]-5'-carboxylate Methyl 9'-imidazol-1-ylcarbothioyloxy-3'-methyl-spiro[1,3-dioxolane-2,7'-bicyclo[3.3.1]non-2-ene]-5'-carboxylate
Wiley ID 838557