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(1R,3R,4S)-7-Bromo-4,5-diacetoxy-3,4-dihydro-1,3-dimethyl-8-methoxybenzo[c]pyran

View entire compound with spectra: 1 MS (GC)

(1R,3R,4S)-7-Bromo-4,5-diacetoxy-3,4-dihydro-1,3-dimethyl-8-methoxybenzo[c]pyran
SpectraBase Compound ID 7JtY5lPDLSU
InChI InChI=1S/C16H19BrO6/c1-7-13-14(15(8(2)21-7)23-10(4)19)12(22-9(3)18)6-11(17)16(13)20-5/h6-8,15H,1-5H3/t7-,8-,15-/m1/s1
InChIKey SPZYGJCWNQJMDU-KDZIRCDLSA-N
Mol Weight 387.23 g/mol
Molecular Formula C16H19BrO6
Exact Mass 386.036501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HSxeuUs0R7d
Name (1R,3R,4S)-7-Bromo-4,5-diacetoxy-3,4-dihydro-1,3-dimethyl-8-methoxybenzo[c]pyran
Appearance Clear oil
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 386.036501326 u
Formula C16H19BrO6
InChI InChI=1S/C16H19BrO6/c1-7-13-14(15(8(2)21-7)23-10(4)19)12(22-9(3)18)6-11(17)16(13)20-5/h6-8,15H,1-5H3/t7-,8-,15-/m1/s1
InChIKey SPZYGJCWNQJMDU-KDZIRCDLSA-N
Instrument Name Hewlett Packard 5986
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0003.911
Molecular Weight 387.226 g/mol
SMILES C1(=C(C2=C(C(=C1)OC(=O)C)[C@@]([C@](O[C@@]2(C)[H])(C)[H])(OC(C)=O)[H])OC)Br
SPLASH splash10-00xr-0090000000-be10298096009288bf0d
Source of Spectrum ARK-2002-115-28 (DOI: 10.3998/ark.5550190.0003.911)
Wiley ID 1904841