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Ethanethioic acid, S-(5-bromotricyclo[2.2.1.0(2,6)]hept-3-yl) ester
SpectraBase Compound ID COZyVDPw3P6
InChI InChI=1S/C9H11BrOS/c1-3(12)11-9-5-2-4-6(7(4)9)8(5)10/h4-9H,2H2,1H3/t4-,5+,6?,7?,8-,9?/m1/s1
InChIKey BDGTYQQLXTUKGT-RQWOXWPCSA-N
Mol Weight 247.15 g/mol
Molecular Formula C9H11BrOS
Exact Mass 245.971399 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5rwV5k63f6l
Name Ethanethioic acid, S-(5-bromotricyclo[2.2.1.0(2,6)]hept-3-yl) ester
Alternate Name(s) O-[(5S)-5-bromotricyclo[2.2.1.0(2,6)]hept-3-yl]ethanethioate trans-5-bromo-3-thioacetoxynortricyclene Tricyclo[2.2.1.0(2,6)]heptane, ethanethioic acid deriv.
CAS Registry Number 55883-36-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H11BrOS
InChI InChI=1S/C9H11BrOS/c1-3(12)11-9-5-2-4-6(7(4)9)8(5)10/h4-9H,2H2,1H3/t4-,5+,6?,7?,8-,9?/m1/s1
InChIKey BDGTYQQLXTUKGT-RQWOXWPCSA-N
Molecular Weight 247.150 g/mol
SMILES C12C3[C@](Br)([C@@](C2OC(=S)C)(C[C@@]13[H])[H])[H]
SPLASH splash10-014l-6910000000-dab9359576d02a3f8a7e
Source of Spectrum B-28-643-0
Wiley ID 1248378