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2H-Pyran-2-acetic acid, tetrahydro-6-methyl-, phenyl ester, (2S-cis)-
SpectraBase Compound ID 9ynUx95Xva8
InChI InChI=1S/C14H18O3/c1-11-6-5-9-13(16-11)10-14(15)17-12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10H2,1H3/t11-,13-/m0/s1
InChIKey TWQSZDOONRFADF-AAEUAGOBSA-N
Mol Weight 234.29 g/mol
Molecular Formula C14H18O3
Exact Mass 234.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8zECZ7buYWm
Name 2H-Pyran-2-acetic acid, tetrahydro-6-methyl-, phenyl ester, (2S-cis)-
CAS Registry Number 102208-96-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O3
InChI InChI=1S/C14H18O3/c1-11-6-5-9-13(16-11)10-14(15)17-12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10H2,1H3/t11-,13-/m0/s1
InChIKey TWQSZDOONRFADF-AAEUAGOBSA-N
Molecular Weight 234.295 g/mol
SMILES C(C[C@]1(O[C@@](C)(CCC1)[H])[H])(Oc1ccccc1)=O
SPLASH splash10-0535-9000000000-144f41cdb1999ac175e2
Source of Spectrum C-108-3479-18
Synonyms Phenyl-(2S,6S)-(cis-6-methyltetrahydropyran-2-yl)acetate phenyl[(2S,6S)-6-methyltetrahydro-2H-pyran-2-yl]acetate
Wiley ID 1236119