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Methyl (3a'SR,4'SR,7a'RS)-5'-Bromospiro[cyclohexane-1,2'-3a,4',5',7a'-tetrahydro-1',3'-benzodioxole]-4'-carbamate
SpectraBase Compound ID 3mDcEXIQDHu
InChI InChI=1S/C14H20BrNO4/c1-18-13(17)16-11-9(15)5-6-10-12(11)20-14(19-10)7-3-2-4-8-14/h5,10-12H,2-4,6-8H2,1H3,(H,16,17)/t10-,11?,12-/m1/s1
InChIKey PXDKYBZVQFXSDX-IGBJHFKCSA-N
Mol Weight 346.22 g/mol
Molecular Formula C14H20BrNO4
Exact Mass 345.057571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 88KPKwOxAAS
Name Methyl (3a'SR,4'SR,7a'RS)-5'-Bromospiro[cyclohexane-1,2'-3a,4',5',7a'-tetrahydro-1',3'-benzodioxole]-4'-carbamate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20BrNO4
InChI InChI=1S/C14H20BrNO4/c1-18-13(17)16-11-9(15)5-6-10-12(11)20-14(19-10)7-3-2-4-8-14/h5,10-12H,2-4,6-8H2,1H3,(H,16,17)/t10-,11?,12-/m1/s1
InChIKey PXDKYBZVQFXSDX-IGBJHFKCSA-N
Molecular Weight 346.221 g/mol
SMILES N(C1[C@@]2(OC3(CCCCC3)O[C@@]2(CC=C1Br)[H])[H])C(=O)OC
SPLASH splash10-0uxr-9855000000-811b86d8c1e40599b77c
Source of Spectrum KC-0-3517-8
Wiley ID 782702