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(1R,3R)-cis-3-[2,2-dimethyl-3-(3-oxobutyl)cyclopropyl]-2-[2-(1,3-dioxolan-2-yl)ethyl]-2-propenoic acid methyl ester
SpectraBase Compound ID lWNJPUolFU
InChI InChI=1S/C18H28O5/c1-12(19)5-7-14-15(18(14,2)3)11-13(17(20)21-4)6-8-16-22-9-10-23-16/h11,14-16H,5-10H2,1-4H3/b13-11-/t14-,15-/m1/s1
InChIKey PDBBAEHONOSHJQ-MKQVVRHOSA-N
Mol Weight 324.42 g/mol
Molecular Formula C18H28O5
Exact Mass 324.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 95DDLlMswjt
Name (1R,3R)-cis-3-[2,2-dimethyl-3-(3-oxobutyl)cyclopropyl]-2-[2-(1,3-dioxolan-2-yl)ethyl]-2-propenoic acid methyl ester
CAS Registry Number 123541-36-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H28O5
InChI InChI=1S/C18H28O5/c1-12(19)5-7-14-15(18(14,2)3)11-13(17(20)21-4)6-8-16-22-9-10-23-16/h11,14-16H,5-10H2,1-4H3/b13-11-/t14-,15-/m1/s1
InChIKey PDBBAEHONOSHJQ-MKQVVRHOSA-N
Molecular Weight 324.417 g/mol
SMILES [C@]1(C(C)(C)[C@@]1(CCC(=O)C)[H])(\C=C/(C(=O)OC)CCC1OCCO1)[H]
SPLASH splash10-00dj-9400000000-bd69501a8b1810255a55
Source of Spectrum J-55-131-0
Synonyms Methyl (2Z)-3-[(1R,3R)-2,2-dimethyl-3-(3-oxobutyl)cyclopropyl]-2-[2-(1,3-dioxolan-2-yl)ethyl]-2-propenoate
Wiley ID 1323221