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6-Heptenoic acid, 5-hydroxy-4-methoxy-, ethyl ester, [R-(R*,S*)]-
SpectraBase Compound ID 3dHkJVWoE6K
InChI InChI=1S/C10H18O4/c1-4-8(11)9(13-3)6-7-10(12)14-5-2/h4,8-9,11H,1,5-7H2,2-3H3/t8-,9+/m0/s1
InChIKey QSJSVCUKMNLZKU-DTWKUNHWSA-N
Mol Weight 202.25 g/mol
Molecular Formula C10H18O4
Exact Mass 202.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H0R6bnZH9nH
Name 6-Heptenoic acid, 5-hydroxy-4-methoxy-, ethyl ester, [R-(R*,S*)]-
Alternate Name(s) Ethyl (4R,5S)-5-hydroxy-4-methoxy-6-heptenoate Ethyl (4R,5S)-5-hydroxy-4-methoxyhept-6-enoate
CAS Registry Number 128684-67-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H18O4
InChI InChI=1S/C10H18O4/c1-4-8(11)9(13-3)6-7-10(12)14-5-2/h4,8-9,11H,1,5-7H2,2-3H3/t8-,9+/m0/s1
InChIKey QSJSVCUKMNLZKU-DTWKUNHWSA-N
Molecular Weight 202.250 g/mol
SMILES O[C@@](C=C)([C@@](CCC(=O)OCC)(OC)[H])[H]
SPLASH splash10-0ab9-9100000000-bdcef8d523d076ba653d
Source of Spectrum C-112-5591-14
Wiley ID 1199550