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3-Oxabicyclo[3.3.1]non-7-ene-2-acetic acid, 8,9,9-trimethyl-, endo-(.+-.)-
SpectraBase Compound ID 6UxG5TEKZpb
InChI InChI=1S/C13H20O3/c1-8-4-5-9-7-16-10(6-11(14)15)12(8)13(9,2)3/h4,9-10,12H,5-7H2,1-3H3,(H,14,15)/t9-,10?,12+/m0/s1
InChIKey RSAXLQQCTMRBPN-VXFCFVAISA-N
Mol Weight 224.3 g/mol
Molecular Formula C13H20O3
Exact Mass 224.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IvIi2oMwOq7
Name 3-Oxabicyclo[3.3.1]non-7-ene-2-acetic acid, 8,9,9-trimethyl-, endo-(.+-.)-
CAS Registry Number 107890-61-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-8-4-5-9-7-16-10(6-11(14)15)12(8)13(9,2)3/h4,9-10,12H,5-7H2,1-3H3,(H,14,15)/t9-,10?,12+/m0/s1
InChIKey RSAXLQQCTMRBPN-VXFCFVAISA-N
Molecular Weight 224.300 g/mol
SMILES OC(CC1[C@@]2(C(C)(C)[C@](CO1)(CC=C2C)[H])[H])=O
SPLASH splash10-00dl-3910000000-01ab26268ed38edc36b8
Source of Spectrum J-52-2097-7
Synonyms (6,9,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-4-endo-yl)acetic acid (8,9,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)acetic acid
Wiley ID 1225314