Debug Info

object
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_id
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Cv4SCfPE8Ht
spectrumID
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Cv4SCfPE8Ht
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131072
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analyticalTechnique
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MS (GC)
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Mass Spectrum (GC)
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5-Bromovaleric acid, isopropyl ester
SpectraBase Compound ID LXjQ9x5EgpR
InChI InChI=1S/C8H15BrO2/c1-7(2)11-8(10)5-3-4-6-9/h7H,3-6H2,1-2H3
InChIKey BNMDVZUARWALIW-UHFFFAOYSA-N
Mol Weight 223.11 g/mol
Molecular Formula C8H15BrO2
Exact Mass 222.025543 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cv4SCfPE8Ht
Name Isopropyl 5-bromopentanoate
CAS Registry Number 13931-38-9
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H15BrO2
InChI InChI=1S/C8H15BrO2/c1-7(2)11-8(10)5-3-4-6-9/h7H,3-6H2,1-2H3
InChIKey BNMDVZUARWALIW-UHFFFAOYSA-N
Molecular Weight 223.110 g/mol
SMILES C(Br)CCCC(OC(C)C)=O
SPLASH splash10-052f-9300000000-b35fb0f7f48176c87b56
Source of Spectrum NP-5-3753-0
Synonyms 5-Bromopentanoic acid, isopropyl ester 5-Bromopentanoic acid propan-2-yl ester Propan-2-yl 5-bromopentanoate Propan-2-yl 5-bromanylpentanoate
Wiley ID 1104813
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