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5-Chloro-7a-methyl-2,3,3a,4,5,7a-hexahydro-(3a.alpha.,5.beta.,7a.alpha.)-benzofuran

View entire compound with spectra: 1 MS (GC)

5-Chloro-7a-methyl-2,3,3a,4,5,7a-hexahydro-(3a.alpha.,5.beta.,7a.alpha.)-benzofuran
SpectraBase Compound ID 9W1LbCSTbaL
InChI InChI=1S/C9H13ClO/c1-9-4-2-8(10)6-7(9)3-5-11-9/h2,4,7-8H,3,5-6H2,1H3/t7-,8-,9+/m1/s1
InChIKey HCMFCMDYARHSMB-HLTSFMKQSA-N
Mol Weight 172.65 g/mol
Molecular Formula C9H13ClO
Exact Mass 172.065493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DJ1d3BQdaHs
Name 5-Chloro-7a-methyl-2,3,3a,4,5,7a-hexahydro-(3a.alpha.,5.beta.,7a.alpha.)-benzofuran
Alternate Name(s) (3aR,5S,7aR)-5-chloro-7a-methyl-2,3,3a,4,5,7a-hexahydro-1-benzofuran
CAS Registry Number 141612-48-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H13ClO
InChI InChI=1S/C9H13ClO/c1-9-4-2-8(10)6-7(9)3-5-11-9/h2,4,7-8H,3,5-6H2,1H3/t7-,8-,9+/m1/s1
InChIKey HCMFCMDYARHSMB-HLTSFMKQSA-N
Molecular Weight 172.655 g/mol
SMILES [C@]12(C=C[C@](C[C@]2(CCO1)[H])(Cl)[H])C
SPLASH splash10-0a4l-7900000000-50e9eb41a1f5070d845e
Source of Spectrum C-114-6379-21
Wiley ID 1168636