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1-Isopropyl-3-nitro-2-propenyl Acetate
SpectraBase Compound ID D217j5mN4BM
InChI InChI=1S/C8H13NO4/c1-6(2)8(13-7(3)10)4-5-9(11)12/h4-6,8H,1-3H3/b5-4+
InChIKey GQCMWALUBAFBJZ-SNAWJCMRSA-N
Mol Weight 187.19 g/mol
Molecular Formula C8H13NO4
Exact Mass 187.084458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DxRCCPXriJw
Name 1-Isopropyl-3-nitro-2-propenyl Acetate
Alternate Name(s) (2E)-1-isopropyl-3-nitro-2-propenyl acetate Acetic acid[(E)-1-isopropyl-3-nitro-allyl]ester Acetic acid[(E)-4-methyl-1-nitropent-1-en-3-yl]ester [(E)-1-isopropyl-3-nitro-allyl]acetate [(E)-4-methyl-1-nitro-pent-1-en-3-yl]ethanoate [(E)-4-methyl-1-nitropent-1-en-3-yl]acetate Acetic acid [(E)-4-methyl-1-nitropent-1-en-3-yl] ester [(E)-4-methyl-1-nitropent-1-en-3-yl] acetate [(E)-1-isopropyl-3-nitro-allyl] acetate [(E)-4-methyl-1-nitro-pent-1-en-3-yl] ethanoate
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Formula C8H13NO4
InChI InChI=1S/C8H13NO4/c1-6(2)8(13-7(3)10)4-5-9(11)12/h4-6,8H,1-3H3/b5-4+
InChIKey GQCMWALUBAFBJZ-SNAWJCMRSA-N
Molecular Weight 187.195 g/mol
SMILES C(\C=C\N(=O)=O)(OC(=O)C)C(C)C
SPLASH splash10-004i-0900000000-d770f608445d5a513ded
Source of Spectrum J-58-596-20
Wiley ID 1183682