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cis-1,2-di(methoxycarbonyl)-4(E)-(1-hydroxy-2-butenyl)-4-cyclohexene
SpectraBase Compound ID 4YcmQxYDOYd
InChI InChI=1S/C14H20O5/c1-4-5-12(15)9-6-7-10(13(16)18-2)11(8-9)14(17)19-3/h4-6,10-12,15H,7-8H2,1-3H3/b5-4+/t10-,11+,12?/m1/s1
InChIKey CCPRLEQWRARKRU-SFBKAJCZSA-N
Mol Weight 268.31 g/mol
Molecular Formula C14H20O5
Exact Mass 268.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 877r09PEQIt
Name cis-1,2-di(methoxycarbonyl)-4(E)-(1-hydroxy-2-butenyl)-4-cyclohexene
CAS Registry Number 112091-71-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O5
InChI InChI=1S/C14H20O5/c1-4-5-12(15)9-6-7-10(13(16)18-2)11(8-9)14(17)19-3/h4-6,10-12,15H,7-8H2,1-3H3/b5-4+/t10-,11+,12?/m1/s1
InChIKey CCPRLEQWRARKRU-SFBKAJCZSA-N
Molecular Weight 268.309 g/mol
SMILES OC(C=1C[C@@]([C@](C(=O)OC)(CC1)[H])(C(=O)OC)[H])\C=C\C
SPLASH splash10-001l-1910000000-ed911fc23a8155f40b46
Source of Spectrum AJ-60-329-6
Synonyms Dimethyl (1R,2S)-4-[(2E)-1-hydroxy-2-butenyl]-4-cyclohexene-1,2-dicarboxylate
Wiley ID 1272025