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1,2-Benzisoxazol-4(5H)-one, 6,7-dihydro-3-(9-tridecenyl)-, (E)-
SpectraBase Compound ID 1rlRu43lBr6
InChI InChI=1S/C20H31NO2/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-18(22)15-13-16-19(20)23-21-17/h4-5H,2-3,6-16H2,1H3/b5-4+
InChIKey HWBJZGDEBIHTEQ-SNAWJCMRSA-N
Mol Weight 317.47 g/mol
Molecular Formula C20H31NO2
Exact Mass 317.235479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E3PvkJ2dHvP
Name 1,2-Benzisoxazol-4(5H)-one, 6,7-dihydro-3-(9-tridecenyl)-, (E)-
Alternate Name(s) 3-[(9E)-9-tridecenyl]-6,7-dihydro-1,2-benzisoxazol-4(5H)-one 3-[(E)-9-tridecenyl]6,7-dihydro-1,2-benzisoxazol-4(5H)-one
CAS Registry Number 117968-68-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H31NO2
InChI InChI=1S/C20H31NO2/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-18(22)15-13-16-19(20)23-21-17/h4-5H,2-3,6-16H2,1H3/b5-4+
InChIKey HWBJZGDEBIHTEQ-SNAWJCMRSA-N
Molecular Weight 317.473 g/mol
SMILES c12c(onc2CCCCCCCC\C=C\CCC)CCCC1=O
SPLASH splash10-0pvi-6920000000-2405280b371a56159a5e
Source of Spectrum F-44-1595-3
Wiley ID 1317845