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(5S,1'R,2'R,5'R)-Methyl 5-hydroxymethyl-5-[2'-(1"-formylvinyl)-5'-methylcyclopentylmethyl]-2-isopropylcyclopenta-1,3-diencarboxylate

View entire compound with spectra: 1 MS (GC)

(5S,1'R,2'R,5'R)-Methyl 5-hydroxymethyl-5-[2'-(1"-formylvinyl)-5'-methylcyclopentylmethyl]-2-isopropylcyclopenta-1,3-diencarboxylate
SpectraBase Compound ID BJ7CqgrbxgU
InChI InChI=1S/C21H30O4/c1-13(2)16-8-9-21(12-23,19(16)20(24)25-5)10-18-14(3)6-7-17(18)15(4)11-22/h8-9,11,13-14,17-18,23H,4,6-7,10,12H2,1-3,5H3/t14?,17-,18+,21+/m0/s1
InChIKey XLIHAHFVNCEBOQ-UAHIPKGNSA-N
Mol Weight 346.47 g/mol
Molecular Formula C21H30O4
Exact Mass 346.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KYc014gG03c
Name (5S,1'R,2'R,5'R)-Methyl 5-hydroxymethyl-5-[2'-(1"-formylvinyl)-5'-methylcyclopentylmethyl]-2-isopropylcyclopenta-1,3-diencarboxylate
Alternate Name(s) Methyl (5R)-5-{[(1R,2R)-2-(1-formylvinyl)-5-methylcyclopentyl]methyl}-5-(hydroxymethyl)-2-isopropyl-1,3-cyclopentadiene-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O4
InChI InChI=1S/C21H30O4/c1-13(2)16-8-9-21(12-23,19(16)20(24)25-5)10-18-14(3)6-7-17(18)15(4)11-22/h8-9,11,13-14,17-18,23H,4,6-7,10,12H2,1-3,5H3/t14?,17-,18+,21+/m0/s1
InChIKey XLIHAHFVNCEBOQ-UAHIPKGNSA-N
Molecular Weight 346.467 g/mol
SMILES OC[C@]1(C(=C(C(C)C)C=C1)C(=O)OC)C[C@]1([C@](C(=C)C=O)(CCC1C)[H])[H]
SPLASH splash10-05o0-1953000000-dcccf491c6352321c81c
Source of Spectrum F-70-1667-9
Wiley ID 1596353