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5-Acetoxy-4-hydroxy-3,3a,4,5-tetrahydro-benzo[c]pyrazoline
SpectraBase Compound ID LZWZkYXylpt
InChI InChI=1S/C9H12N2O3/c1-5(12)14-8-3-2-7-6(9(8)13)4-10-11-7/h2-3,6-9,13H,4H2,1H3/t6-,7-,8+,9-/m0/s1
InChIKey UPYUPBWHGBKQMN-MAUMQABQSA-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 KdGoQce3oFG
Name 5-Acetoxy-4-hydroxy-3,3a,4,5-tetrahydro-benzo[c]pyrazoline
Alternate Name(s) Acetic acid (3aS,4S,5R,7aS)-4-hydroxy-3a,4,5,7a-tetrahydro-3H-indazol-5-yl ester [(3aS,4S,5R,7aS)-4-hydroxy-3a,4,5,7a-tetrahydro-3H-indazol-5-yl] acetate [(3aS,4S,5R,7aS)-4-oxidanyl-3a,4,5,7a-tetrahydro-3H-indazol-5-yl] ethanoate
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Formula C9H12N2O3
InChI InChI=1S/C9H12N2O3/c1-5(12)14-8-3-2-7-6(9(8)13)4-10-11-7/h2-3,6-9,13H,4H2,1H3/t6-,7-,8+,9-/m0/s1
InChIKey UPYUPBWHGBKQMN-MAUMQABQSA-N
Molecular Weight 196.206 g/mol
SMILES O[C@]1([C@@]2([C@@](N=NC2)(C=C[C@]1(OC(=O)C)[H])[H])[H])[H]
SPLASH splash10-014s-0900000000-e54b5662afd5cfeccb3a
Source of Spectrum QC-6-2197-3
Wiley ID 883889