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(3aS,4R,5S,7aS)-5-azido-7-chloranyl-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-ol
SpectraBase Compound ID FL6NL2yt3g5
InChI InChI=1S/C9H12ClN3O3/c1-9(2)15-7-4(10)3-5(12-13-11)6(14)8(7)16-9/h3,5-8,14H,1-2H3/t5-,6+,7+,8-/m0/s1
InChIKey GVJMONFZRKSIRM-OSMVPFSASA-N
Mol Weight 245.67 g/mol
Molecular Formula C9H12ClN3O3
Exact Mass 245.056719 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DxFT5aG5s8u
Name (3aS,4R,5S,7aS)-5-azido-7-chloranyl-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-ol
Alternate Name(s) (3aS,4R,5S,7aS)-5-azido-7-chloro-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-ol
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Formula C9H12ClN3O3
InChI InChI=1S/C9H12ClN3O3/c1-9(2)15-7-4(10)3-5(12-13-11)6(14)8(7)16-9/h3,5-8,14H,1-2H3/t5-,6+,7+,8-/m0/s1
InChIKey GVJMONFZRKSIRM-OSMVPFSASA-N
Molecular Weight 245.666 g/mol
SMILES O[C@]1([C@]2([C@@](C(Cl)=C[C@@]1(N=[N+]=[N-])[H])(OC(O2)(C)C)[H])[H])[H]
SPLASH splash10-0f89-6490000000-356f03abcd744f9cfcff
Source of Spectrum KC-0-1787-24
Wiley ID 822661