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

View entire compound with spectra: 1 MS (GC)

2-[3-(2-furanyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
SpectraBase Compound ID 1mM0hJiGjsL
InChI InChI=1S/C15H15N3O4S/c1-2-5-17-13(11-4-3-6-20-11)16-18(15(17)23)9-7-10(19)14-21-8-12(9)22-14/h2-4,6,9,12,14H,1,5,7-8H2/t9-,12+,14+/m0/s1
InChIKey LZHQVFNHOHBVGV-MRCXROJRSA-N
Mol Weight 333.36 g/mol
Molecular Formula C15H15N3O4S
Exact Mass 333.078327 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ivxw9ELkbM
Name 2-[3-(2-furanyl)-4-prop-2-enyl-5-sulfanylidene-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 C15H15N3O4S
InChI InChI=1S/C15H15N3O4S/c1-2-5-17-13(11-4-3-6-20-11)16-18(15(17)23)9-7-10(19)14-21-8-12(9)22-14/h2-4,6,9,12,14H,1,5,7-8H2/t9-,12+,14+/m0/s1
InChIKey LZHQVFNHOHBVGV-MRCXROJRSA-N
Molecular Weight 333.362 g/mol
SMILES C=CCN1C(N(N=C1c1occc1)[C@@]1([C@@]2(O[C@](C(C1)=O)(OC2)[H])[H])[H])=S
SPLASH splash10-000f-9230000000-8866317ab09c57d50537
Synonyms 2-[3-(furan-2-yl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one 2-[4-allyl-3-(2-furyl)-5-thioxo-1,2,4-triazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
Wiley ID 1453528