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Cyclopenta[c]pyran-4-carboxylic acid, 1-bromo-1,4a,5,6,7,7a-hexahydro-, methyl ester, (1.alpha.,4a.alpha.,7a.alpha.)-(.+-.)-

View entire compound with spectra: 1 MS (GC)

Cyclopenta[c]pyran-4-carboxylic acid, 1-bromo-1,4a,5,6,7,7a-hexahydro-, methyl ester, (1.alpha.,4a.alpha.,7a.alpha.)-(.+-.)-
SpectraBase Compound ID 4Iikaj2xz68
InChI InChI=1S/C10H13BrO3/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 QAIQLMLXPHLPND-FJXKBIBVSA-N
Mol Weight 261.11 g/mol
Molecular Formula C10H13BrO3
Exact Mass 260.004807 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fa5j8EdiTrq
Name Cyclopenta[c]pyran-4-carboxylic acid, 1-bromo-1,4a,5,6,7,7a-hexahydro-, methyl ester, (1.alpha.,4a.alpha.,7a.alpha.)-(.+-.)-
CAS Registry Number 67546-38-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H13BrO3
InChI InChI=1S/C10H13BrO3/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 QAIQLMLXPHLPND-FJXKBIBVSA-N
Molecular Weight 261.115 g/mol
SMILES C1(=CO[C@@]([C@@]2([C@]1(CCC2)[H])[H])(Br)[H])C(=O)OC
SPLASH splash10-0f89-0900000000-d098fe349e4f723ca2ba
Source of Spectrum K-111-2435-0
Synonyms Methyl (1R,4aR,7aS)-1-bromo-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate Methyl ester of(+,-)-1.alpha.,.beta.-bromo-1,4a.alpha.,5,6,7,7a.alpha.-hexahydrocyclopenta(c)pyran-4-carboxylic acid
Wiley ID 1263153