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1-Oxaspiro[4.6]undecane, propanoic acid deriv.
SpectraBase Compound ID 7nV5t0g0SzE
InChI InChI=1S/C16H22O4/c1-10-5-6-13(12(3)15(18)19-4)9-11(2)16(10)8-7-14(17)20-16/h9-10H,5-8H2,1-4H3/b13-12+/t10-,16+/m1/s1
InChIKey PHNYWTGZCPHLSN-AMKYERAZSA-N
Mol Weight 278.35 g/mol
Molecular Formula C16H22O4
Exact Mass 278.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JGWgv2yCO6f
Name 1-Oxaspiro[4.6]undecane, propanoic acid deriv.
CAS Registry Number 116512-51-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O4
InChI InChI=1S/C16H22O4/c1-10-5-6-13(12(3)15(18)19-4)9-11(2)16(10)8-7-14(17)20-16/h9-10H,5-8H2,1-4H3/b13-12+/t10-,16+/m1/s1
InChIKey PHNYWTGZCPHLSN-AMKYERAZSA-N
Molecular Weight 278.348 g/mol
SMILES [C@]12(C(=C\C(=C\(C(=O)OC)C)CC[C@]2(C)[H])C)OC(=O)CC1
SPLASH splash10-0bt9-7690000000-c19bfd359496c54a44ec
Source of Spectrum F-43-5297-22
Synonyms Propanoic acid, 2-(6,11-dimethyl-2-oxo-1-oxaspiro[4.6]undec-6-en-8-ylidene)-, methyl ester, (5.alpha.,8E,11.beta.)-(.+-.)- Methyl (2E)-2-[(5S,11R)-6,11-dimethyl-2-oxo-1-oxaspiro[4.6]undec-6-en-8-ylidene]propanoate Methyl (5S*,11R)-2-(6,11-dimethyl-1-oxaspiro[4.6]undec-6-en-2-on-8-ylidene]propionate
Wiley ID 1282063