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2(3H)-Benzofuranone, hexahydro-4,7a-dimethyl-, [3aR-(3a.alpha.,4.beta.,7a.beta.)]-
SpectraBase Compound ID BATe16LxmgG
InChI InChI=1S/C10H16O2/c1-7-4-3-5-10(2)8(7)6-9(11)12-10/h7-8H,3-6H2,1-2H3/t7-,8-,10-/m1/s1
InChIKey MYBRZXZOMCDTLB-NQMVMOMDSA-N
Mol Weight 168.24 g/mol
Molecular Formula C10H16O2
Exact Mass 168.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DXnigTPnbIJ
Name 2(3H)-Benzofuranone, hexahydro-4,7a-dimethyl-, [3aR-(3a.alpha.,4.beta.,7a.beta.)]-
Alternate Name(s) (3aR,4R,7aR)-(+)-4,7a-dimethyl-trans-hexahydrobenzofuran-2(3H)-one (3aR,4R,7aR)-4,7a-dimethylhexahydro-1-benzofuran-2(3H)-one
CAS Registry Number 104575-83-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16O2
InChI InChI=1S/C10H16O2/c1-7-4-3-5-10(2)8(7)6-9(11)12-10/h7-8H,3-6H2,1-2H3/t7-,8-,10-/m1/s1
InChIKey MYBRZXZOMCDTLB-NQMVMOMDSA-N
Molecular Weight 168.236 g/mol
SMILES [C@]12(OC(=O)C[C@@]2([C@](C)(CCC1)[H])[H])C
SPLASH splash10-05o3-9200000000-8391d4f1973d58357c60
Source of Spectrum J-51-4839-1
Wiley ID 1164862