Debug Info

object
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_id
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2SXYChfb6G
spectrumID
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2SXYChfb6G
cost
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specType
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131072
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MS (GC)
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Mass Spectrum (GC)
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compound
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4a.alpha.,7.alpha.,7a.beta.-Nepetalactone
SpectraBase Compound ID HY39C23tMF9
InChI InChI=1S/C10H14O2/c1-6-3-4-8-7(2)5-12-10(11)9(6)8/h5-6,8-9H,3-4H2,1-2H3
InChIKey ZDKZHVNKFOXMND-UHFFFAOYSA-N
Mol Weight 166.22 g/mol
Molecular Formula C10H14O2
Exact Mass 166.09938 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2SXYChfb6G
Name Cyclopentanecarboxylic acid, 2-(2-hydroxy-1-methylvinyl)-5-methyl-, .delta.-lactone
CAS Registry Number 490-10-8
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14O2
InChI InChI=1S/C10H14O2/c1-6-3-4-8-7(2)5-12-10(11)9(6)8/h5-6,8-9H,3-4H2,1-2H3
InChIKey ZDKZHVNKFOXMND-UHFFFAOYSA-N
Molecular Weight 166.220 g/mol
SMILES CC1CCC2C1C(=O)OC=C2C
SPLASH splash10-0159-9400000000-46a3183f852312343080
Source of Spectrum LQ-1992-4300-0
Synonyms 4,7-Dimethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[c]pyran-1-one Cyclopenta[c]pyran-1(4aH)-one, 5,6,7,7a-tetrahydro-4,7-dimethyl- 4,7-Dimethyl-5,6,7,7a-tetrahydrocyclopenta[c]pyran-1(4ah)-one Cyclopenta(c)pyran-1-(4aH)-one, 5,6,7,7a-tetrahydro-4,7-dimethyl- 5,6,7,7a-Tetrahydro-4,7-dimethyl-cyclopenta(c)pyran-1(4aH)-one Cyclopentanecarboxylic acid, 2-(2-hydroxy-1-methylethenyl)-5-methyl-, .delta.-lactone MD(sub 1) 84 MD1 84 Nepetalactone Nepetalactone, cis-trans-
Wiley ID 1162559
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