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(3aS,4S,5R,7aS)-7-bromo-5-methoxy-2,2-dimethyl-3a,4,5,7a-tetrahydrobenzo[d][1,3]dioxol-4-ol
SpectraBase Compound ID Kac3CkGoEz5
InChI InChI=1S/C10H15BrO4/c1-10(2)14-8-5(11)4-6(13-3)7(12)9(8)15-10/h4,6-9,12H,1-3H3/t6-,7+,8-,9+/m1/s1
InChIKey QIEYOGFTPWVLTR-XAVMHZPKSA-N
Mol Weight 279.13 g/mol
Molecular Formula C10H15BrO4
Exact Mass 278.015372 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7JJ4ViCvPCH
Name (3aS,4S,5R,7aS)-7-bromo-5-methoxy-2,2-dimethyl-3a,4,5,7a-tetrahydrobenzo[d][1,3]dioxol-4-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H15BrO4
InChI InChI=1S/C10H15BrO4/c1-10(2)14-8-5(11)4-6(13-3)7(12)9(8)15-10/h4,6-9,12H,1-3H3/t6-,7+,8-,9+/m1/s1
InChIKey QIEYOGFTPWVLTR-XAVMHZPKSA-N
Literature Reference DOI 10.1021/ol403220t
Molecular Weight 279.130 g/mol
SMILES O[C@@]1([C@]2([C@@](C(Br)=C[C@]1(OC)[H])(OC(C)(C)O2)[H])[H])[H]
SPLASH splash10-0f6x-0920000000-76ac3839ebed139222b8
Source of Spectrum A1-16-228/SMS9-18
Wiley ID 1747646