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3,4-bis(acetoxymethyl)-2,5-dibrom-1a,2,5,5a-tetrahydro-2,5-heptanobenzoxiren
SpectraBase Compound ID Asjuf4XQbuy
InChI InChI=1S/C19H26Br2O5/c1-12(22)24-10-14-15(11-25-13(2)23)19(21)9-7-5-3-4-6-8-18(14,20)16-17(19)26-16/h16-17H,3-11H2,1-2H3/t16-,17+,18+,19-
InChIKey YHYPCLBDOSMGKO-SEXKYXSUSA-N
Mol Weight 494.22 g/mol
Molecular Formula C19H26Br2O5
Exact Mass 492.0147 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6zxAc2mxdAm
Name 3,4-bis(acetoxymethyl)-2,5-dibrom-1a,2,5,5a-tetrahydro-2,5-heptanobenzoxiren
Alternate Name(s) {14-[(acetyloxy)methyl]-1,9-dibromo-11-oxatricyclo[7.3.2.0(10,12)]tetradec-13-en-13-yl}methyl acetate
CAS Registry Number 102652-13-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26Br2O5
InChI InChI=1S/C19H26Br2O5/c1-12(22)24-10-14-15(11-25-13(2)23)19(21)9-7-5-3-4-6-8-18(14,20)16-17(19)26-16/h16-17H,3-11H2,1-2H3/t16-,17+,18+,19-
InChIKey YHYPCLBDOSMGKO-SEXKYXSUSA-N
Molecular Weight 494.220 g/mol
SMILES [C@]12([C@@]([C@@]3(Br)CCCCCCC[C@@]1(C(=C3COC(=O)C)COC(=O)C)Br)(O2)[H])[H]
SPLASH splash10-0a4i-9003000000-46216a7960fffc4f1ca5
Source of Spectrum K-119-2711-3
Wiley ID 1397478