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cis-1,2-di(methoxycarbonyl)-4-(1-hydroxy-2-propenyl)-4-cyclohexene
SpectraBase Compound ID IJ9C3GX6sgr
InChI InChI=1S/C13H18O5/c1-4-11(14)8-5-6-9(12(15)17-2)10(7-8)13(16)18-3/h4-5,9-11,14H,1,6-7H2,2-3H3/t9-,10+,11?/m1/s1
InChIKey NQTBGRGJEZGIPR-JKIOLJMWSA-N
Mol Weight 254.28 g/mol
Molecular Formula C13H18O5
Exact Mass 254.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2bj29y6HKa6
Name cis-1,2-di(methoxycarbonyl)-4-(1-hydroxy-2-propenyl)-4-cyclohexene
Alternate Name(s) Dimethyl (1R,2S)-4-(1-hydroxy-2-propenyl)-4-cyclohexene-1,2-dicarboxylate
CAS Registry Number 112091-82-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O5
InChI InChI=1S/C13H18O5/c1-4-11(14)8-5-6-9(12(15)17-2)10(7-8)13(16)18-3/h4-5,9-11,14H,1,6-7H2,2-3H3/t9-,10+,11?/m1/s1
InChIKey NQTBGRGJEZGIPR-JKIOLJMWSA-N
Molecular Weight 254.282 g/mol
SMILES OC(C=1C[C@@]([C@](C(=O)OC)(CC1)[H])(C(=O)OC)[H])C=C
SPLASH splash10-016r-1900000000-44f477055a769c8e8ee3
Source of Spectrum AJ-60-329-6
Wiley ID 1257515