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Acetic acid, bromo-, 3-(2,2-dimethylpropoxy)-4,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, [1S-(exo,exo)]-
SpectraBase Compound ID KoQVVyFtlPg
InChI InChI=1S/C17H29BrO3/c1-15(2,3)10-20-14-13(21-12(19)9-18)11-7-8-17(14,6)16(11,4)5/h11,13-14H,7-10H2,1-6H3/t11-,13-,14-,17?/m1/s1
InChIKey MRYYSBGYLBUCPI-IKYDMHQPSA-N
Mol Weight 361.32 g/mol
Molecular Formula C17H29BrO3
Exact Mass 360.130008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2mVnd8v2oup
Name Acetic acid, bromo-, 3-(2,2-dimethylpropoxy)-4,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, [1S-(exo,exo)]-
Alternate Name(s) (1S,2R,3S)-3-(2,2-Dimethylpropoxy)-4,7,7-trimethylbicyclo[2.2.1]hept-2-yl bromoacetate (1S,2R,3S)-4,7,7-trimethyl-3-(neopentyloxy)bicyclo[2.2.1]hept-2-yl bromoacetate
CAS Registry Number 88948-24-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H29BrO3
InChI InChI=1S/C17H29BrO3/c1-15(2,3)10-20-14-13(21-12(19)9-18)11-7-8-17(14,6)16(11,4)5/h11,13-14H,7-10H2,1-6H3/t11-,13-,14-,17?/m1/s1
InChIKey MRYYSBGYLBUCPI-IKYDMHQPSA-N
Molecular Weight 361.320 g/mol
SMILES C12(C([C@]([H])(CC2)[C@]([C@]1(OCC(C)(C)C)[H])(OC(=O)CBr)[H])(C)C)C
SPLASH splash10-01b9-1900000000-d4d2e46c9e655b265ff8
Source of Spectrum H-68-2112-42
Wiley ID 1348132