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(1R,5S)-Ethyl 7-Hydroxy-1-isopropyl-4-oxospiro[4.5]dec-7-ene-8-carboxylate
SpectraBase Compound ID DnoXyOZyuhi
InChI InChI=1S/C16H24O4/c1-4-20-15(19)11-7-8-16(9-13(11)17)12(10(2)3)5-6-14(16)18/h10,12,17H,4-9H2,1-3H3/t12-,16+/m1/s1
InChIKey XKJRVFZLSMTZFJ-WBMJQRKESA-N
Mol Weight 280.36 g/mol
Molecular Formula C16H24O4
Exact Mass 280.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2v1oPqjBDZX
Name (1R,5S)-Ethyl 7-Hydroxy-1-isopropyl-4-oxospiro[4.5]dec-7-ene-8-carboxylate
Appearance Yellowish oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H24O4
InChI InChI=1S/C16H24O4/c1-4-20-15(19)11-7-8-16(9-13(11)17)12(10(2)3)5-6-14(16)18/h10,12,17H,4-9H2,1-3H3/t12-,16+/m1/s1
InChIKey XKJRVFZLSMTZFJ-WBMJQRKESA-N
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.1c02627
Molecular Weight 280.364 g/mol
Optical Rotation [a]D22 = +20.3 (c = 1.00, CDCl3)
Reported Formula C16H24O4
SMILES OC1=C(CC[C@]2(C(CC[C@@]2(C(C)C)[H])=O)C1)C(OCC)=O
SPLASH splash10-007o-2940000000-a5e472f06cc7f329f251
Source of Spectrum JOC-87-649-16
Wiley ID 1884192