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(1S,2S,5R)-3-Bromo-1,2-isopropylidenedioxycyclohex-3-ene-5-yl acetate

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

(1S,2S,5R)-3-Bromo-1,2-isopropylidenedioxycyclohex-3-ene-5-yl acetate
SpectraBase Compound ID I75jxy9fV6A
InChI InChI=1S/C11H15BrO4/c1-6(13)14-7-4-8(12)10-9(5-7)15-11(2,3)16-10/h4,7,9-10H,5H2,1-3H3/t7-,9-,10+/m0/s1
InChIKey CKRAHFKEDRWFKJ-UJNFCWOMSA-N
Mol Weight 291.14 g/mol
Molecular Formula C11H15BrO4
Exact Mass 290.015372 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9L0qcftr2iM
Name (1S,2S,5R)-3-Bromo-1,2-isopropylidenedioxycyclohex-3-ene-5-yl acetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 290.015371959 u
Formula C11H15BrO4
InChI InChI=1S/C11H15BrO4/c1-6(13)14-7-4-8(12)10-9(5-7)15-11(2,3)16-10/h4,7,9-10H,5H2,1-3H3/t7-,9-,10+/m0/s1
InChIKey CKRAHFKEDRWFKJ-UJNFCWOMSA-N
SMILES [C@@]12(C(=C[C@@](C[C@@]2(OC(O1)(C)C)[H])(OC(=O)C)[H])Br)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.910585