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2-(4-prop-2-enyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one

View entire compound with spectra: 1 MS (GC)

2-(4-prop-2-enyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one
SpectraBase Compound ID 12xbUg2ZShb
InChI InChI=1S/C15H15N3O3S2/c1-2-5-17-13(12-4-3-6-23-12)16-18(15(17)22)9-7-10(19)14-20-8-11(9)21-14/h2-4,6,9,11,14H,1,5,7-8H2
InChIKey DBLFEAPCEZCRGX-UHFFFAOYSA-N
Mol Weight 349.42 g/mol
Molecular Formula C15H15N3O3S2
Exact Mass 349.055484 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID dKtBJI2vg
Name 2-(4-prop-2-enyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one
Alternate Name(s) 2-[4-allyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H15N3O3S2
InChI InChI=1S/C15H15N3O3S2/c1-2-5-17-13(12-4-3-6-23-12)16-18(15(17)22)9-7-10(19)14-20-8-11(9)21-14/h2-4,6,9,11,14H,1,5,7-8H2
InChIKey DBLFEAPCEZCRGX-UHFFFAOYSA-N
Molecular Weight 349.423 g/mol
SMILES C=CCN1C(N(N=C1c1sccc1)C1C2OC(C(C1)=O)OC2)=S
SPLASH splash10-0m4o-9552000000-e944a9e39495ceab60fe
Wiley ID 1453627