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Methyl myrtenate
SpectraBase Compound ID 8We44UGw0tC
InChI InChI=1S/C11H16O2/c1-11(2)7-4-5-8(9(11)6-7)10(12)13-3/h5,7,9H,4,6H2,1-3H3
InChIKey HBIHNNBZGOVTTR-UHFFFAOYSA-N
Mol Weight 180.25 g/mol
Molecular Formula C11H16O2
Exact Mass 180.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FnRW8t3VRIv
Name Methyl myrtenate
CAS Registry Number 30649-97-9
Classification Bicyclic monoterpenoids
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 180.115029753 u
Formula C11H16O2
InChI InChI=1S/C11H16O2/c1-11(2)7-4-5-8(9(11)6-7)10(12)13-3/h5,7,9H,4,6H2,1-3H3
InChIKey HBIHNNBZGOVTTR-UHFFFAOYSA-N
Molecular Weight 180.247 g/mol
Number of Peaks 18
SMILES C12CC(C2(C)C)CC=C1C(OC)=O
SPLASH splash10-0a73-9500000000-70b30e66db583d26dab3
Source of Spectrum FF-13-307-M18 (DOI: 10.1002_(SICI)1099-1026(1998090)13_5_295)
Synonyms Bicyclo[3.1.1]hept-2-ene-2-carboxylic acid, 6,6-dimethyl-, methyl ester 2-Norpinene-2-carboxylic acid, 6,6-dimethyl-, methyl ester Myrtenic acid methyl ester Methyl 6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-carboxylate 6,6-Dimethyl-4-bicyclo[3.1.1]hept-3-enecarboxylic acid methyl ester Methyl 6,6-dimethylbicyclo[3.1.1]hept-3-ene-4-carboxylate
Wiley ID 1775215