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6-Oxabicyclo[3.2.1]oct-3-ene-7-acetic acid, 3-methyl-8-(1-methylethyl)-2-(2-oxoethyl)-, methyl ester, (2-endo,7-exo,8-anti)-
SpectraBase Compound ID CYWufJ3f7jI
InChI InChI=1S/C16H24O4/c1-9(2)15-12-7-10(3)11(5-6-17)16(15)13(20-12)8-14(18)19-4/h6-7,9,11-13,15-16H,5,8H2,1-4H3/t11-,12+,13-,15+,16?/m0/s1
InChIKey NXMHLQPSTMIJIK-QIZXESHQSA-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 4J1xhP3IHD
Name 6-Oxabicyclo[3.2.1]oct-3-ene-7-acetic acid, 3-methyl-8-(1-methylethyl)-2-(2-oxoethyl)-, methyl ester, (2-endo,7-exo,8-anti)-
CAS Registry Number 122053-02-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H24O4
InChI InChI=1S/C16H24O4/c1-9(2)15-12-7-10(3)11(5-6-17)16(15)13(20-12)8-14(18)19-4/h6-7,9,11-13,15-16H,5,8H2,1-4H3/t11-,12+,13-,15+,16?/m0/s1
InChIKey NXMHLQPSTMIJIK-QIZXESHQSA-N
Molecular Weight 280.364 g/mol
SMILES C12[C@@](O[C@]([C@]2(C(C)C)[H])([H])C=C([C@@]1(CC=O)[H])C)(CC(=O)OC)[H]
SPLASH splash10-000x-2900000000-38bc3b3b595811201151
Source of Spectrum H-71-975-14
Synonyms Methyl (1R*,2S*,5R*,7S*,8S*)-2-(formylmethyl)-3-methyl-8-(1-methylethyl)-6-oxabicyclo[3.2.1]oct-3-eN-acetate Methyl[(2R,5S,7S,8S)-8-isopropyl-3-methyl-2-(2-oxoethyl)-6-oxabicyclo[3.2.1]oct-3-en-7-yl]acetate
Wiley ID 1283958