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4-Acetoxy-3,3a,4,5-tetrahydrobenzo[c]pyrazoline-5-ol
SpectraBase Compound ID A3mp3lXy424
InChI InChI=1S/C9H12N2O3/c1-5(12)14-9-6-4-10-11-7(6)2-3-8(9)13/h2-3,6-9,13H,4H2,1H3/t6-,7-,8+,9-/m1/s1
InChIKey VKIDOWZRMNGIGB-LURQLKTLSA-N
Mol Weight 196.21 g/mol
Molecular Formula C9H12N2O3
Exact Mass 196.084792 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 16Ileg5mNGH
Name 4-Acetoxy-3,3a,4,5-tetrahydrobenzo[c]pyrazoline-5-ol
Alternate Name(s) Acetic acid (3aR,4R,5S,7aR)-5-hydroxy-3a,4,5,7a-tetrahydro-3H-indazol-4-yl ester [(3aR,4R,5S,7aR)-5-hydroxy-3a,4,5,7a-tetrahydro-3H-indazol-4-yl] acetate [(3aR,4R,5S,7aR)-5-oxidanyl-3a,4,5,7a-tetrahydro-3H-indazol-4-yl] ethanoate
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Formula C9H12N2O3
InChI InChI=1S/C9H12N2O3/c1-5(12)14-9-6-4-10-11-7(6)2-3-8(9)13/h2-3,6-9,13H,4H2,1H3/t6-,7-,8+,9-/m1/s1
InChIKey VKIDOWZRMNGIGB-LURQLKTLSA-N
Molecular Weight 196.206 g/mol
SMILES O[C@]1(C=C[C@]2(N=NC[C@]2([C@]1(OC(=O)C)[H])[H])[H])[H]
SPLASH splash10-052s-0900000000-4d5702bd2edc44344bd8
Source of Spectrum QC-6-2197-4
Wiley ID 883888