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Methyl (3S)-3-(4-methoxybenzyloxy)-4,4-dimethyl-5-oxoheptanoate
SpectraBase Compound ID HTCjdXHxmiL
InChI InChI=1S/C18H26O5/c1-6-15(19)18(2,3)16(11-17(20)22-5)23-12-13-7-9-14(21-4)10-8-13/h7-10,16H,6,11-12H2,1-5H3/t16-/m0/s1
InChIKey VXLOROKTJGTJKV-INIZCTEOSA-N
Mol Weight 322.4 g/mol
Molecular Formula C18H26O5
Exact Mass 322.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E3ffmHCHQr1
Name Methyl (3S)-3-(4-methoxybenzyloxy)-4,4-dimethyl-5-oxoheptanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26O5
InChI InChI=1S/C18H26O5/c1-6-15(19)18(2,3)16(11-17(20)22-5)23-12-13-7-9-14(21-4)10-8-13/h7-10,16H,6,11-12H2,1-5H3/t16-/m0/s1
InChIKey VXLOROKTJGTJKV-INIZCTEOSA-N
Molecular Weight 322.401 g/mol
SMILES C([C@](CC(=O)OC)(OCc1ccc(cc1)OC)[H])(C(=O)CC)(C)C
SPLASH splash10-00di-1900000000-07222fdbdcd7e703afb0
Source of Spectrum QE-8-3752-24
Wiley ID 1557930