Debug Info

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2mqf8dru21o
spectrumID
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2mqf8dru21o
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Mass Spectrum (GC)
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3-Isopropenylsalicylic acid
SpectraBase Compound ID 2GmxZkoJ33X
InChI InChI=1S/C10H10O3/c1-6(2)7-4-3-5-8(9(7)11)10(12)13/h3-5,11H,1H2,2H3,(H,12,13)
InChIKey NGUJGKXRRSFFAG-UHFFFAOYSA-N
Mol Weight 178.19 g/mol
Molecular Formula C10H10O3
Exact Mass 178.062994 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2mqf8dru21o
Name 3-Isopropenylsalicylic acid
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H10O3
InChI InChI=1S/C10H10O3/c1-6(2)7-4-3-5-8(9(7)11)10(12)13/h3-5,11H,1H2,2H3,(H,12,13)
InChIKey NGUJGKXRRSFFAG-UHFFFAOYSA-N
Molecular Weight 178.187 g/mol
SMILES Oc1c(C(=O)O)cccc1C(=C)C
SPLASH splash10-03di-0900000000-bdea362e5952f3611424
Source of Spectrum I-79-1544-20
Synonyms 2-hydroxy-3-(1-methylethenyl)benzoic acid 2-hydroxy-3-prop-1-en-2-ylbenzoic acid 2-oxidanyl-3-prop-1-en-2-yl-benzoic acid
Wiley ID 813026
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