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2-[2-[(1R,4R)-4-(3-iodobut-3-enyl)-1-methyl-1-cyclopent-2-enyl]ethyl]propanedioic acid dimethyl ester
SpectraBase Compound ID 6r8bikuKe8D
InChI InChI=1S/C17H25IO4/c1-12(18)5-6-13-7-9-17(2,11-13)10-8-14(15(19)21-3)16(20)22-4/h7,9,13-14H,1,5-6,8,10-11H2,2-4H3/t13-,17+/m0/s1
InChIKey WNGFLJIVQXYEGE-SUMWQHHRSA-N
Mol Weight 420.29 g/mol
Molecular Formula C17H25IO4
Exact Mass 420.079754 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2BsRfNW1vVI
Name 2-[2-[(1R,4R)-4-(3-iodobut-3-enyl)-1-methyl-1-cyclopent-2-enyl]ethyl]propanedioic acid dimethyl ester
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Formula C17H25IO4
InChI InChI=1S/C17H25IO4/c1-12(18)5-6-13-7-9-17(2,11-13)10-8-14(15(19)21-3)16(20)22-4/h7,9,13-14H,1,5-6,8,10-11H2,2-4H3/t13-,17+/m0/s1
InChIKey WNGFLJIVQXYEGE-SUMWQHHRSA-N
Molecular Weight 420.287 g/mol
SMILES C(C(=O)OC)(C(=O)OC)CC[C@]1(C=C[C@@](C1)(CCC(=C)I)[H])C
SPLASH splash10-0di3-7970000000-9c94911e779a505c14ef
Source of Spectrum F-50-411-7
Synonyms 2-[2-[(1R,4R)-4-(3-iodobut-3-enyl)-1-methyl-cyclopent-2-en-1-yl]ethyl]malonic acid dimethyl ester Dimethyl 2-[2-[(1R,4R)-4-(3-iodanylbut-3-enyl)-1-methyl-cyclopent-2-en-1-yl]ethyl]propanedioate Dimethyl 2-[2-[(1R,4R)-4-(3-iodobut-3-enyl)-1-methyl-cyclopent-2-en-1-yl]ethyl]propanedioate
Wiley ID 1377772