Debug Info

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4S02tBEGG0
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4S02tBEGG0
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Mass Spectrum (GC)
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1-Pentanoyl-3-oxabicyclo[3.1.0]hexan-2-one
SpectraBase Compound ID 6vJhpGS13nA
InChI InChI=1S/C10H14O3/c1-2-3-4-8(11)10-5-7(10)6-13-9(10)12/h7H,2-6H2,1H3
InChIKey RKQCUDCWCLWSDV-UHFFFAOYSA-N
Mol Weight 182.22 g/mol
Molecular Formula C10H14O3
Exact Mass 182.094294 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4S02tBEGG0
Name 1-Pentanoyl-3-oxabicyclo[3.1.0]hexan-2-one
Appearance Yellow liquid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 182.094294308 u
Formula C10H14O3
InChI InChI=1S/C10H14O3/c1-2-3-4-8(11)10-5-7(10)6-13-9(10)12/h7H,2-6H2,1H3
InChIKey RKQCUDCWCLWSDV-UHFFFAOYSA-N
Instrument Name HP5973-6890 or Agilent 5977A-7890B
Ionization Type EI
Literature Reference DOI 10.1002/anie.201807923
Molecular Weight 182.219 g/mol
Quality 1000
Reported Formula C10H14O3
SMILES C1OC(C2(C1C2)C(CCCC)=O)=O
SPLASH splash10-0kfx-9700000000-7b3a1136c7eebfb78548
Source of Spectrum ACI-57-SM3-8 (DOI: 10.1002/anie.201807923)
Wiley ID 1893580
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