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7-Oxabicyclo[4.1.0]heptane, acetic acid deriv.
SpectraBase Compound ID 9Qjd2lDi6NZ
InChI InChI=1S/C12H18O3/c1-4-14-10(13)6-9-5-8(2)7-12(3)11(9)15-12/h6,8,11H,4-5,7H2,1-3H3/b9-6+/t8-,11+,12-/m1/s1
InChIKey WRXTYQOTOYOZEE-HUTPLHOMSA-N
Mol Weight 210.27 g/mol
Molecular Formula C12H18O3
Exact Mass 210.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ITTeobo2O1e
Name 7-Oxabicyclo[4.1.0]heptane, acetic acid deriv.
CAS Registry Number 71055-33-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O3
InChI InChI=1S/C12H18O3/c1-4-14-10(13)6-9-5-8(2)7-12(3)11(9)15-12/h6,8,11H,4-5,7H2,1-3H3/b9-6+/t8-,11+,12-/m1/s1
InChIKey WRXTYQOTOYOZEE-HUTPLHOMSA-N
Molecular Weight 210.273 g/mol
SMILES [C@]12(O[C@]2(\C(=C\C(=O)OCC)C[C@](C1)(C)[H])[H])C
SPLASH splash10-00b9-0900000000-ba51f017d60a7384cb8b
Source of Spectrum K-112-2272-0
Synonyms Acetic acid, (4,6-dimethyl-7-oxabicyclo[4.1.0]hept-2-ylidene)-, ethyl ester, (1.alpha.,2E,4.beta.,6.alpha.)- Ethyl (2E)-[(1S,4R,6R)-4,6-dimethyl-7-oxabicyclo[4.1.0]hept-2-ylidene]ethanoate Ethylester of (E)-(4R,6t-dimethyl-7-oxabicyclo(4,1,0)hept-2-yliden)acetic acid
Wiley ID 1209164