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Amyl acetate (mixed isomers: 63.7% amyl, 36.3% isoamyl)

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Amyl acetate (mixed isomers: 63.7% amyl, 36.3% isoamyl)
SpectraBase Compound ID Cd9BgQYYDVe
InChI InChI=1S/99C7H14O2/c36*1-6(2)4-5-9-7(3)8;63*1-3-4-5-6-9-7(2)8/h36*6H,4-5H2,1-3H3;63*3-6H2,1-2H3
InChIKey SFOULMWUGTUEKT-UHFFFAOYSA-N
Mol Weight 13018.7 g/mol
Molecular Formula C700H1400O200
Exact Mass 13009.937969 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GR2wGgFpVRt
Name Amyl acetate (mixed isomers: 63.7% amyl, 36.3% isoamyl)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 13009.937968880 u
Formula C700H1400O200
InChI InChI=1S/99C7H14O2/c36*1-6(2)4-5-9-7(3)8;63*1-3-4-5-6-9-7(2)8/h36*6H,4-5H2,1-3H3;63*3-6H2,1-2H3
InChIKey SFOULMWUGTUEKT-UHFFFAOYSA-N
Molecular Weight 13018.700 g/mol
Nominal Mass 13000 u
SMILES C(CCOC(C)=O)CC.C(CCOC(C)=O)CC.C(CCOC(C)=O)CC.C(CCOC(C)=O)CC.C(CCOC(C)=O)CC.C(CCOC(C)=O)CC.C(CCOC(C)=O)CC.C(CCOC(C)=O)CC.C(CCOC(C)=O)CC.C(CCOC(C)=O)CC.C(CCOC(C)=O)CC.C(CCOC(C)=O)CC.C(CCOC(C)=O)CC.C(CCOC(C)=O)CC.C(CCOC(C)=O)CC.C(CCOC(C)=O)CC.C(CCOC(C)=O)CC.C(CCOC(C)=O)CC.C(CCOC(C)=O)CC.C(CCOC(C)=O)CC.C(CCOC(C)=O)CC.C(CCOC(C)=O)CC.C(CCOC(C)=O)CC.C(CCOC(C)=O)CC.C(CCOC(C)=O)CC.C(CCOC(C)=O)CC.C(CCOC(C)=O)CC.C(CCOC(C)=O)CC.C(CCOC(C)=O)CC.C(CCOC(C)=O)CC.C(CCOC(C)=O)CC.C(CCOC(C)=O)CC.C(CCOC(C)=O)CC.C(CCOC(C)=O)CC.C(CCOC(C)=O)CC.C(CCOC(C)=O)CC.C(CCOC(C)=O)CC.C(CCOC(C)=O)CC.C(CCOC(C)=O)CC.C(CCOC(C)=O)CC.C(CCOC(C)=O)CC.C(CCOC(C)=O)CC.C(CCOC(C)=O)CC.C(CCOC(C)=O)CC.C(CCOC(C)=O)CC.C(CCOC(C)=O)CC.C(CCOC(C)=O)CC.C(CCOC(C)=O)CC.C(CCOC(C)=O)CC.C(CCOC(C)=O)CC.C(CCOC(C)=O)CC.C(CCOC(C)=O)CC.C(CCOC(C)=O)CC.C(CCOC(C)=O)CC.C(CCOC(C)=O)CC.C(CCOC(C)=O)CC.C(CCOC(C)=O)CC.C(CCOC(C)=O)CC.C(CCOC(C)=O)CC.C(CCOC(C)=O)CC.C(CCOC(C)=O)CC.C(CCOC(C)=O)CC.C(CCOC(C)=O)CC.C(CCOC(C)=O)(C)C.C(CCOC(C)=O)(C)C.C(CCOC(C)=O)(C)C.C(CCOC(C)=O)(C)C.C(CCOC(C)=O)(C)C.C(CCOC(C)=O)(C)C.C(CCOC(C)=O)(C)C.C(CCOC(C)=O)(C)C.C(CCOC(C)=O)(C)C.C(CCOC(C)=O)(C)C.C(CCOC(C)=O)(C)C.C(CCOC(C)=O)(C)C.C(CCOC(C)=O)(C)C.C(CCOC(C)=O)(C)C.C(CCOC(C)=O)(C)C.C(CCOC(C)=O)(C)C.C(CCOC(C)=O)(C)C.C(CCOC(C)=O)(C)C.C(CCOC(C)=O)(C)C.C(CCOC(C)=O)(C)C.C(CCOC(C)=O)(C)C.C(CCOC(C)=O)(C)C.C(CCOC(C)=O)(C)C.C(CCOC(C)=O)(C)C.C(CCOC(C)=O)(C)C.C(CCOC(C)=O)(C)C.C(CCOC(C)=O)(C)C.C(CCOC(C)=O)(C)C.C(CCOC(C)=O)(C)C.C(CCOC(C)=O)(C)C.C(CCOC(C)=O)(C)C.C(CCOC(C)=O)(C)C.C(CCOC(C)=O)(C)C.C(CCOC(C)=O)(C)C.C(CCOC(C)=O)(C)C.C(CCOC(C)=O)(C)C