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Cyclopenta[c]pyran-4-carboxylic acid, 1-chloro-1,4a,5,6,7,7a-hexahydro-, methyl ester, (1.alpha.,4a.alpha.,7a.alpha.)-
SpectraBase Compound ID 2x6BO9iEHKO
InChI InChI=1S/C10H13ClO3/c1-13-10(12)8-5-14-9(11)7-4-2-3-6(7)8/h5-7,9H,2-4H2,1H3/t6-,7+,9+/m1/s1
InChIKey LKKAXNIGGARWPI-FJXKBIBVSA-N
Mol Weight 216.66 g/mol
Molecular Formula C10H13ClO3
Exact Mass 216.055322 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 13OnIWcwKpB
Name Cyclopenta[c]pyran-4-carboxylic acid, 1-chloro-1,4a,5,6,7,7a-hexahydro-, methyl ester, (1.alpha.,4a.alpha.,7a.alpha.)-
Alternate Name(s) Methyl (1R,4aR,7aS)-1-chloro-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate Methylester of (+,-)1-.alpha.,.beta.chloro-1,4a.alpha.,5,6,7,7a.alpha.-hexahydrocyclopenta[c]pyran-4-carboxylic acid
CAS Registry Number 76638-00-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H13ClO3
InChI InChI=1S/C10H13ClO3/c1-13-10(12)8-5-14-9(11)7-4-2-3-6(7)8/h5-7,9H,2-4H2,1H3/t6-,7+,9+/m1/s1
InChIKey LKKAXNIGGARWPI-FJXKBIBVSA-N
Molecular Weight 216.664 g/mol
SMILES C1(=CO[C@@]([C@@]2([C@]1(CCC2)[H])[H])(Cl)[H])C(=O)OC
SPLASH splash10-00l2-0920000000-402b2e7ff90b1e581297
Source of Spectrum F-36-1235-0
Wiley ID 1215129