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Spiro[benzofuran-2(3H),1'-cyclohexan]-3'-ol, 2',5,5'-tribromo-2',6',6'-trimethyl-, acetate, (1'.alpha.,2'.beta.,3'.alpha.,5'.beta.)-(-)-

View entire compound with spectra: 1 MS (GC)

Spiro[benzofuran-2(3H),1'-cyclohexan]-3'-ol, 2',5,5'-tribromo-2',6',6'-trimethyl-, acetate, (1'.alpha.,2'.beta.,3'.alpha.,5'.beta.)-(-)-
SpectraBase Compound ID 8F8g0MRGsjO
InChI InChI=1S/C18H21Br3O3/c1-10(22)23-15-8-14(20)16(2,3)18(17(15,4)21)9-11-7-12(19)5-6-13(11)24-18/h5-7,14-15H,8-9H2,1-4H3
InChIKey CAGDZOSVGZMMGW-UHFFFAOYSA-N
Mol Weight 525.08 g/mol
Molecular Formula C18H21Br3O3
Exact Mass 521.904084 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Nrx3temoLr
Name Spiro[benzofuran-2(3H),1'-cyclohexan]-3'-ol, 2',5,5'-tribromo-2',6',6'-trimethyl-, acetate, (1'.alpha.,2'.beta.,3'.alpha.,5'.beta.)-(-)-
CAS Registry Number 132244-40-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21Br3O3
InChI InChI=1S/C18H21Br3O3/c1-10(22)23-15-8-14(20)16(2,3)18(17(15,4)21)9-11-7-12(19)5-6-13(11)24-18/h5-7,14-15H,8-9H2,1-4H3
InChIKey CAGDZOSVGZMMGW-UHFFFAOYSA-N
Molecular Weight 525.075 g/mol
SMILES C12(C(C(OC(=O)C)CC(C2(C)C)Br)(Br)C)Oc2ccc(cc2C1)Br
SPLASH splash10-014i-9010000000-f9e26f86c57392c743ce
Source of Spectrum B-43-2020-10
Synonyms 2',5,5'-tribromo-2',6',6'-trimethyl-3H-spiro[1-benzofuran-2,1'-cyclohexane]-3'-yl acetate 2',5,5'-Tribromo-2',6',6'-trimethylspiro[benzofuran-2(3H),1'-cyclohexan]-3'-yl acetate
Wiley ID 1402164