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5-Hydroxy-4-methylhept-3-yl propanoate
SpectraBase Compound ID H5Kj414fefQ
InChI InChI=1S/C11H22O3/c1-5-9(12)8(4)10(6-2)14-11(13)7-3/h8-10,12H,5-7H2,1-4H3
InChIKey ZWLYEVPWPYSAKA-UHFFFAOYSA-N
Mol Weight 202.29 g/mol
Molecular Formula C11H22O3
Exact Mass 202.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IY8moba67b7
Name 5-Hydroxy-4-methylhept-3-yl propanoate
Alternate Name(s) (1RS,2RS,3RS)-1-Ethyl-3-hydroxy-2-methylpentyl propanoate (1RS,2SR,3RS)-1-Ethyl-3-hydroxy-2-methylpentyl propanoate 1-ethyl-3-hydroxy-2-methylpentyl propionate
Comments Less than 3 mono-isotopic peaks
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Formula C11H22O3
InChI InChI=1S/C11H22O3/c1-5-9(12)8(4)10(6-2)14-11(13)7-3/h8-10,12H,5-7H2,1-4H3
InChIKey ZWLYEVPWPYSAKA-UHFFFAOYSA-N
Molecular Weight 202.294 g/mol
SMILES OC(C(C(OC(CC)=O)CC)C)CC
SPLASH splash10-0a4i-9000000000-55c9769237e7c631510a
Source of Spectrum J-64-853-62
Wiley ID 1529292